(2S)-2-ethyl-2-hydroxy-3-methyl-but-3-enoic acid (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)-cyclohexyl ester

HCID 11530561

기본 정보

표준 SMILES
C=C(C)[C@@](O)(CC)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)c1ccccc1
InChIKey
OZBWYRJUQQZAEG-CFKGEZKQSA-N
분자식
C23H34O3
평균 분자량
358.5 g/mol

이름 및 식별자

우선 이름
(2S)-2-ethyl-2-hydroxy-3-methyl-but-3-enoic acid (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)-cyclohexyl ester
IUPAC
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-ethyl-2-hydroxy-3-methylbut-3-enoate

이름 및 동의어

OZBWYRJUQQZAEG-CFKGEZKQSA-N(2S)-2-ethyl-2-hydroxy-3-methyl-but-3-enoic acid (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)-cyclohexyl ester

데이터베이스 식별자

PubChem CID
11530561

물성

구조 계산 물성

XLogP
6.6
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
7
무거운 원자 수
26

관련 반응

1건

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