4-Hydroxy-3-methyl-2-(2-propynyl)-2-cyclopentene-1-one

HCID 12918206

基本情報

標準SMILES
C#CCC1=C(C)C(O)CC1=O
InChIKey
ISFGTDAAYLSOFY-UHFFFAOYSA-N
分子式
C9H10O2
平均分子量
150.17 g/mol

概要

4-Hydroxy-3-methyl-2-(2-propynyl)-2-cyclopentene-1-one is a secondary alcohol.

名称と識別子

優先名称
4-Hydroxy-3-methyl-2-(2-propynyl)-2-cyclopentene-1-one
IUPAC
4-hydroxy-3-methyl-2-prop-2-ynylcyclopent-2-en-1-one

名称と別名

4-HYDROXY-3-METHYL-2-(2-PROPYNYL)-2-CYCLOPENTENE-1-ONE2-Cyclopenten-1-one,4-hydroxy-3-methyl-2-(2-propyn-1-yl)-(4S)-4-hydroxy-3-methyl-2-prop-2-ynyl-1-cyclopent-2-enoneSCHEMBL357001CHEBI:230885AKOS0062373862-propargyl-3-methyl-4-hydroxy-2-cyclopentenone4-hydroxy-2-propargyl-3-methyl-2-cyclopentenone4-hydroxy-3-methyl-2-(2-propynyl)-2-cyclopentenone4-hydroxy-3-methyl-2-prop-2-ynylcyclopent-2-en-1-one

データベース識別子

PubChem CID
12918206
ChEBI
CHEBI:230885
Nikkaji
J22.869I

物性

構造計算による物性

XLogP
-0.1
極性表面積
37.3 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
1
重原子数
11

関連反応

7 件

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