(1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
기본 정보
- CAS
70389-95-6- 표준 SMILES
C=C1CC[C@@H](O)[C@]2(C)CC[C@H](C=C(C)C)[C@@H]12- InChIKey
CZFKRGCIADMIRY-TUVASFSCSA-N- 분자식
- C15H24O
- 평균 분자량
- 220.35 g/mol
개요
(1R,7abeta)-1beta-(2-Methyl-1-propenyl)-3aalpha-methyl-7-methylenehydrindane-4alpha-ol has been reported in Torilis japonica and Baccharis dracunculifolia with data available.
이름 및 식별자
- 우선 이름
- (1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
- IUPAC
- (1R,3aR,4R,7aS)-3a-methyl-7-methylidene-1-(2-methylprop-1-enyl)-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
- 영어명
- [1R,(+)]-2,3,3a,4,5,6,7,7aβ-Octahydro-3aα-methyl-7-methylene-1β-(2-methyl-1-propenyl)-1H-indene-4α-ol
- 분자식
- C15H24O
- 분자량
- 220.35
이름 및 동의어
(1R,7aβ)-1β-(2-Methyl-1-propenyl)-3aα-methyl-7-methylenehydrindane-4α-ol1H-Inden-4-ol, octahydro-3a-methyl-7-methylene-1-(2-methyl-1-propen-1-yl)-, (1R,3aR,4R,7aS)-[1R,(+)]-2,3,3a,4,5,6,7,7aβ-Octahydro-3aα-methyl-7-methylene-1β-(2-methyl-1-propenyl)-1H-indene-4α-ol
데이터베이스 식별자
- CAS
70389-95-6- Nikkaji
- J193.319A
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 324
물리화학적 성질
- 끓는 점
- 307.296 · 307.296±41.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 0.973 · 0.973±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 14.873 · 14.873±0.60(predicted)
관련 반응
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