Methyl pivaloylacetate

CAS 55107-14-7  ·  C8H14O3  ·  MW 158.19 g/mol

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3D model Methyl pivaloylacetate, CAS 55107-14-7, molecular formula C8H14O3, molar mass 158.19 g/mol
About Methyl pivaloylacetate

Methyl pivaloylacetate is a chemical compound registered under number CAS 55107-14-7, with the molecular formula C8H14O3, and a molar mass of 158.19 g/mol.

The molecule contains 25 atoms connected by 24 chemical bonds. The full systematic IUPAC name of this compound is methyl 4,4-dimethyl-3-oxopentanoate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.4 (positive value, a lipophilic compound), polar surface area PSA = 43.4 Ų, 0 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC8H14O3
Masa molowa158.19 g/mol
IUPACmethyl 4,4-dimethyl-3-oxopentanoate
SMILESCC(C)(C)C(=O)CC(=O)OC
InChIKeyXTXCFTMJPRXBBC-UHFFFAOYSA-N
logP (XLogP3)1.4
PSA43.4 Ų
HBD / HBA0 / 3
PubChem CIDCID 99597 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

10 articles · 9 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (10 articles)

1979: 2 articles19791981: 1 articles2019: 1 articles20192021: 1 articles2026: 5 articles2026

Bar height = number of articles per year. Hover dla szczegółów.

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
Methyl 4,4-dimethyl-3-oxopentanoate · Methyl pivaloylacetate · Methyl 4,4-dimethyl-3-oxovalerate · Pentanoic acid, 4,4-dimethyl-3-oxo-, methyl ester · Pivaloylacetic Acid Methyl Ester · Methyl 4,4,4-trimethylacetoacetate · UNII-99CQ34TA4Y · 99CQ34TA4Y · Methyl 4,4,4-trimethyl-3-oxobutanoate · EINECS 259-481-2 · 4,4-Dimethyl-3-oxovaleric Acid Methyl Ester · NSC 246205 · Methyl 3-oxo-4,4-dimethylpentanoate · NSC-246205 · DTXCID0022149
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Methyl pivaloylacetate — CAS 55107-14-7

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
Methyl pivaloylacetate (CAS 55107-14-7) — License & Provenance

Source:
Methyl pivaloylacetate (CAS 55107-14-7) — MolGod molecule record

Source data: PubChem CID 99597

STL: Download 3D model (503 KB)

SHA-256: a1e41b6476fb44c3269ec94ad5812774b50a18ee019872550852c20524353f51

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Source data: PubChem CID 99597

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