methyl N-methyl-4-[3-hydroxy-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propynyl]-2-pyrrolecarboxylate

HCID 22619418

기본 정보

표준 SMILES
COC(=O)c1cc(C#CC(O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cn1C
InChIKey
OVYCNIUDYUIAFK-UHFFFAOYSA-N
분자식
C24H29NO3
평균 분자량
379.5 g/mol

이름 및 식별자

우선 이름
methyl N-methyl-4-[3-hydroxy-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propynyl]-2-pyrrolecarboxylate
IUPAC
methyl 4-[3-hydroxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-ynyl]-1-methylpyrrole-2-carboxylate

이름 및 동의어

SCHEMBL7713075OVYCNIUDYUIAFK-UHFFFAOYSA-Nmethyl N-methyl-4-[3-hydroxy-3-(5,6,7,8-tetrahydro-5,5,8,8,-tetramethyl-2-naphthyl)-1-propynyl]-2-pyrrolecarboxylatemethyl N-methyl-4-[3-hydroxy-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propynyl]-2-pyrrolecarboxylate

데이터베이스 식별자

PubChem CID
22619418

물성

구조 계산 물성

XLogP
5.2
극성 표면적
51.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
28

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