(+/-) ethyl (E)-4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-8-(carbethoxymethyl) naphthalen-2-yl)ethenyl]benzoate

HCID 20605993

기본 정보

표준 SMILES
CCOC(=O)CC1(O)CCC(C)(C)c2ccc(/C=C/c3ccc(C(=O)OCC)cc3)cc21
InChIKey
ZTHVCZPWGICCIW-BQYQJAHWSA-N
분자식
C27H32O5
평균 분자량
436.5 g/mol

이름 및 식별자

우선 이름
(+/-) ethyl (E)-4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-8-(carbethoxymethyl) naphthalen-2-yl)ethenyl]benzoate
IUPAC
ethyl 4-[(E)-2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoate

이름 및 동의어

ZTHVCZPWGICCIW-BQYQJAHWSA-N(+/-) ethyl (E)-4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-8-(carbethoxymethyl) naphthalen-2-yl)ethenyl]benzoate(+/-) ethyl (E)-4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-8-(carbethoxymethyl)naphthalen-2-yl)ethenyl]benzoate(+/-) ethyl (E)4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-8-(carbethoxymethyl)naphthalen-2-yl)ethenyl]benzoate(+/-)ethyl (E)-4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-8-(carbethoxymethyl)naphthalen-2-yl)ethenyl]benzoate

데이터베이스 식별자

PubChem CID
20605993

물성

구조 계산 물성

XLogP
5.7
극성 표면적
72.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
9
무거운 원자 수
32

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