Ethyl 4-[(5-hydroxy-8,8-dimethyl-5-carboethoxymethyl-5,6,7,8-tetrahydronaphth-3-yl)ethynyl]benzoate

HCID 18314572

기본 정보

표준 SMILES
CCOC(=O)CC1(O)CCC(C)(C)c2ccc(C#Cc3ccc(C(=O)OCC)cc3)cc21
InChIKey
OUOYKPXVHJQNQM-UHFFFAOYSA-N
분자식
C27H30O5
평균 분자량
434.5 g/mol

이름 및 식별자

우선 이름
Ethyl 4-[(5-hydroxy-8,8-dimethyl-5-carboethoxymethyl-5,6,7,8-tetrahydronaphth-3-yl)ethynyl]benzoate
IUPAC
ethyl 4-[2-[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]ethynyl]benzoate

이름 및 동의어

SCHEMBL7640535OUOYKPXVHJQNQM-UHFFFAOYSA-NEthyl 4-[(5-hydroxy-8,8-dimethyl-5-carboethoxymethyl-5,6,7,8-tetrahydronaphth-3-yl)ethynyl]benzoateEthyl 4-[(5-hydroxy-8,8-dimethyl-5-carboethoxymethyl-5,6,7,8-tetrahydronapth-3-yl)ethynyl]benzoateEthyl 4-[(5-hydroxy-8,8-dimethyl-5-carboethoxymethyl-5.6,7,8-tetrahydronapth-3-yl)ethynyl]benzoate

데이터베이스 식별자

PubChem CID
18314572

물성

구조 계산 물성

XLogP
5.5
극성 표면적
72.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
9
무거운 원자 수
32

관련 반응

7건

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