기본 정보
- CAS
67441-54-7- 표준 SMILES
CC(C)=CCC(O)C(C)CCCC1(C)OCC2(CC(=O)O)CCC1O2- InChIKey
WOPYURXQWMHYFG-UHFFFAOYSA-N- 분자식
- C20H34O5
- 평균 분자량
- 354.5 g/mol
- 단동위원소 질량
- 354.24062418
이름 및 식별자
- 우선 이름
- 4-(5-Hydroxy-4,8-dimethyl-7-nonenyl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane-1-acetic acid
- IUPAC
- 2-[4-(5-hydroxy-4,8-dimethylnon-7-enyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octan-1-yl]acetic acid
- 영어명
- 4-(5-Hydroxy-4,8-dimethyl-7-nonenyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octane-1-acetic acid
- 분자식
- C20H34O5
- 분자량
- 354.48
이름 및 동의어
4-(5-Hydroxy-4,8-dimethyl-7-nonenyl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane-1-acetic acidRefChem:91221667441-54-73,8-Dioxabicyclo(3.2.1)octane-1-acetic acid, 4-(4,8-dimethyl-5-hydroxy-7-nonenyl)-4-methyl-SCHEMBL10845466DTXSID809867172-[4-(5-hydroxy-4,8-dimethylnon-7-enyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octan-1-yl]acetic acid2,7:3,6-dianhydro-6-(carboxymethyl)-1,4,5-trideoxy-2-(5-hydroxy-4,8-dimethylnon-7-en-1-yl)heptitol4-(5-Hydroxy-4,8-dimethyl-7-nonenyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octane-1-acetic acid3,8-Dioxabicyclo[3.2.1]octane-1-acetic acid, 4-(5-hydroxy-4,8-dimethyl-7-nonenyl)-4-methyl- (9CI)
데이터베이스 식별자
- CAS
67441-54-7- PubChem CID
- 134356
- DTXSID
DTXSID80986717- Nikkaji
- J327.331H
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 76 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 498
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