(4'-{1-[4-(3,3-Dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester

HCID 57709089

기본 정보

표준 SMILES
CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(-c2ccc(CC(=O)OC)cc2)c(C)c1
InChIKey
RDWNEERWYFKNRV-UHFFFAOYSA-N
분자식
C34H42O4
평균 분자량
514.7 g/mol
단동위원소 질량
514.30830982

이름 및 식별자

우선 이름
(4'-{1-[4-(3,3-Dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester
IUPAC
methyl 2-[4-[4-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]phenyl]acetate

이름 및 동의어

SCHEMBL1525283RDWNEERWYFKNRV-UHFFFAOYSA-N(4'-{1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-2'-methyl-biphenyl-4-yl)-acetic Acid Methyl Ester(4'-{1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester

데이터베이스 식별자

PubChem CID
57709089

물성

구조 계산 물성

XLogP
9.1
극성 표면적
52.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
12
무거운 원자 수
38

관련 반응

4건

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