{2-[(2,3-Dimethylcyclohexa-2,4-dien-1-yl)methyl]-4-methylfuran-3-yl}methyl 2-methylbut-2-enoate
기본 정보
- CAS
53820-28-3- 표준 SMILES
CC=C(C)C(=O)OCc1c(C)coc1CC1CC=CC(C)=C1C- InChIKey
WCISPICMWDDMAK-UHFFFAOYSA-N- 분자식
- C20H26O3
- 평균 분자량
- 314.4 g/mol
- 단동위원소 질량
- 314.18819469
이름 및 식별자
- 우선 이름
- {2-[(2,3-Dimethylcyclohexa-2,4-dien-1-yl)methyl]-4-methylfuran-3-yl}methyl 2-methylbut-2-enoate
- IUPAC
- [2-[(2,3-dimethylcyclohexa-2,4-dien-1-yl)methyl]-4-methylfuran-3-yl]methyl 2-methylbut-2-enoate
- 영어명
- 4-Methyl-2-[(2,3-dimethyl-2,6(1)-cyclohexadiene-1-yl)methyl]-3-[[[(Z)-2-methyl-2-butenoyl]oxy]methyl]furan
- 분자식
- C20H26O3
- 분자량
- 314.42
이름 및 동의어
DTXSID40702379{2-[(2,3-Dimethylcyclohexa-2,4-dien-1-yl)methyl]-4-methylfuran-3-yl}methyl 2-methylbut-2-enoate53820-28-36-Angeloyloxy-4,5-didehydro-5,6-secoeuryopsin(Z)-2-Methyl-2-butenoic acid 2-[(5,6-dimethyl-1,5-cyclohexadienyl)methyl]-4-methylfuran-3-ylmethyl ester4-Methyl-2-[(2,3-dimethyl-2,6(1)-cyclohexadiene-1-yl)methyl]-3-[[[(Z)-2-methyl-2-butenoyl]oxy]methyl]furan(Z)-2-Methyl-2-butenoic acid [2-[(5,6-dimethyl-1,5-cyclohexadien-1-yl)methyl]-4-methyl-3-furyl]methyl ester2-Butenoic acid, 2-methyl-, [2-[(5,6-dimethyl-1,5-cyclohexadien-1-yl)methyl]-4-methyl-3-furanyl]methyl ester, (Z)- (9CI)
데이터베이스 식별자
- CAS
53820-28-3- PubChem CID
- 53440119
- DTXSID
DTXSID40702379
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 39.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 527
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