rel-(4aR,5R)-5-(1,1-Dimethylethoxy)-4,4a,5,6,7,8-hexahydro-4a-methyl-2(3H)-naphthalenone
기본 정보
- CAS
53662-94-5- 표준 SMILES
CC(C)(C)O[C@H]1CCCC2=CC(=O)CC[C@@]21C- InChIKey
XBPYAATXTZMPBV-ZFWWWQNUSA-N- 분자식
- C15H24O2
- 평균 분자량
- 236.35 g/mol
- 단동위원소 질량
- 236.17763
이름 및 식별자
- 우선 이름
- rel-(4aR,5R)-5-(1,1-Dimethylethoxy)-4,4a,5,6,7,8-hexahydro-4a-methyl-2(3H)-naphthalenone
- IUPAC
- (4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydronaphthalen-2-one
이름 및 동의어
53662-94-5rel-(4aR,5R)-5-(1,1-Dimethylethoxy)-4,4a,5,6,7,8-hexahydro-4a-methyl-2(3H)-naphthalenoneRefChem:3791645-tert-butoxy-4a-methyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenoneXBPYAATXTZMPBV-ZFWWWQNUSA-NSCHEMBL7142532DTXSID901123628(4aS,5S)-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydronaphthalen-2-oneAD-266/41884761(4aS,5S)-5-tert-butoxy-4a-methyl-4,4a, 5,6,7,8-hexahydro-2(3H)-naphtalenone(4aS,5S)-5-tert-Butoxy-4a-methyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one2(3H)-Naphthalenone, 5-(1,1-dimethylethoxy)-4,4a,5,6,7,8-hexahydro-4a-methyl-, (4aR,5R)-rel-
데이터베이스 식별자
- CAS
53662-94-5- PubChem CID
- 6543862
- DTXSID
DTXSID901123628- Nikkaji
- J970.560K
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 348
관련 반응
1건
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