기본 정보
- CAS
56362-72-2- 표준 SMILES
COc1cc2c(cc1C)C(C(C)C)=CC(=O)[C@]2(C)O- InChIKey
VMEKKHYIQYOLHA-MRXNPFEDSA-N- 분자식
- C16H20O3
- 평균 분자량
- 260.33 g/mol
- 단동위원소 질량
- 260.1412445
개요
Lacinilene C 7-methyl ether is a sesquiterpenoid.
이름 및 식별자
- 우선 이름
- (1R)-1-Hydroxy-7-methoxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenone
- IUPAC
- (1R)-1-hydroxy-7-methoxy-1,6-dimethyl-4-propan-2-ylnaphthalen-2-one
- 현지명
- 라시닐렌C7-메틸에테르
- 영어명
- lacinilene C 7-methyl ether
- 분자식
- C16H20O3
- 분자량
- 260.33
이름 및 동의어
Lacinilene C 7-methyl ether56362-72-2(1R)-1-hydroxy-7-methoxy-1,6-dimethyl-4-propan-2-ylnaphthalen-2-one1-Hydroxy-7-methoxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenone(1R)-1-hydroxy-4-isopropyl-7-methoxy-1,6-dimethyl-naphthalen-2-oneRefChem:905685(1R)-1-Hydroxy-7-methoxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenonelacinilene C methyl etherAC1L33DZAC1Q6I1S(1r)-1-hydroxy-7-methoxy-1,6-dimethyl-4-(propan-2-yl)naphthalen-2(1h)-oneCHEBI:6348
이름 더 보기
라시닐렌C7-메틸에테르1-Hydroxy-7-methoxy-1,6-dimethyl-4-isopropylnaphthalen-2(1H)-one1,6-Dimethyl-4-isopropyl-1-hydroxy-7-methoxynaphthalen-2(1H)-one2(1H)-Naphthalenone, 1-hydroxy-7-methoxy-1,6-dimethyl-4-(1-methylethyl)-, (1R)-
1-Hydroxy-7-methoxy-1,6-dimethyl-4-(propan-2-yl)naphthalen-2(1H)-oneCHEMBL2206801DTXSID30971799C09695Q271071552(1H)-Naphthalenone, 1-hydroxy-7-methoxy-1,6-dimethyl-4-(1-methylethyl)-
데이터베이스 식별자
- CAS
56362-72-2- PubChem CID
- 108125
- DTXSID
DTXSID30971799- ChEMBL
CHEMBL2206801- ChEBI
CHEBI:6348- Nikkaji
- J323.032E
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 399
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