Methyl [4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalen-2-yl-ethynyl)-phenyl]-acetate

HCID 12971710

기본 정보

표준 SMILES
COC(=O)Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3=O)cc1
InChIKey
APONBZQWDNFYGG-UHFFFAOYSA-N
분자식
C23H22O3
평균 분자량
346.4 g/mol

이름 및 식별자

우선 이름
Methyl [4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalen-2-yl-ethynyl)-phenyl]-acetate
IUPAC
methyl 2-[4-[2-(8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]phenyl]acetate

이름 및 동의어

APONBZQWDNFYGG-UHFFFAOYSA-NMethyl [4-(8,8-dimethl-5-oxo-5,6,7,8-tetrahydro-naphthalen-2-yl-ethynyl)-phenyl]-acetatemethyl [4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalen-2-yl-ethynyl)-phenyl]-acetateMethyl [4-(8,8-dimethyl-5-oxo-5.6,7,8-tetrahydro-naphthalen-2-yl-ethynyl)-phenyl]-acetateMethyl [4-(8.8-dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalen-2-yl-ethynyl)-phenyl]-acetatemethyl[4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalen-2-yl-ethynyl)-phenyl]-acetate

데이터베이스 식별자

PubChem CID
12971710

물성

구조 계산 물성

XLogP
4.7
극성 표면적
43.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
5
무거운 원자 수
26

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