기본 정보
- 표준 SMILES
CC(=O)c1cc2c(cc1O)C(C)(C)CCC2(C)C- InChIKey
IFHMELMOPNZNGD-UHFFFAOYSA-N- 분자식
- C16H22O2
- 평균 분자량
- 246.34 g/mol
이름 및 식별자
- 우선 이름
- 5,6,7,8-Tetrahydro-3-hydroxy-5,5,8,8-tetramethyl-2-naphthyl methyl ketone
- IUPAC
- 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
이름 및 동의어
NSC17411SCHEMBL726366CHEMBL562184IFHMELMOPNZNGD-UHFFFAOYSA-NNSC-174112-acetyl-3-hydroxy-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-naphthalene1-(3-Hydroxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-ethanone1-(3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)ethanone1-(3-Hydroxy-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-naphthalen-2-yl)-ethanone1-(3-Hydroxy-5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalen-2-yl)-ethanone1-(3-hydroxy-5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalen-2-yl)ethanone5,6,7,8-tetrahydro-3-hydroxy-5,5,8,8-tetramethyl-2-naphthyl methyl ketone
데이터베이스 식별자
- PubChem CID
- 226699
- ChEMBL
CHEMBL562184- Nikkaji
- J2.801.181D
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 343
관련 반응
22건
화합물 노트
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