기본 정보
- 표준 SMILES
CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCC1- InChIKey
ZJNVIVRSORGHEF-UHFFFAOYSA-N- 분자식
- C23H34O2
- 평균 분자량
- 342.5 g/mol
- 단동위원소 질량
- 342.25588033
이름 및 식별자
- 우선 이름
- Cyclopenta(c)(1)benzopyran-9-ol, 1,2,3,4-tetrahydro-4,4-dimethyl-7-(1,2-dimethylheptyl)-
- IUPAC
- 4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-ol
이름 및 동의어
BRN 122220335570-59-31,2,3,4-Tetrahydro-4,4-dimethyl-7-(1,2-dimethylheptyl)cyclopenta(c)(1)benzopyran-9-olCyclopenta(c)(1)benzopyran-9-ol, 1,2,3,4-tetrahydro-4,4-dimethyl-7-(1,2-dimethylheptyl)-RefChem:335843CHEMBL3276135SCHEMBL11734041SCHEMBL31546201DTXSID60956958ZJNVIVRSORGHEF-UHFFFAOYSA-N4,4-Dimethyl-7-(3-methyloctan-2-yl)-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-ol4,4-Dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[c][1]benzopyran
이름 더 보기
4,4-Dimethyl-9-hydroxy-7-(3methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[c] [l] benzopyran4,4-dimethyl-9-hydroxy-7-(1,2-dimethylheptyl)-1,2,3,4-tetrahydrocyclopenta[ c][l]benzopyran4,4-Dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[ c][1] benzopyran4,4-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[ c][1]benzopyran4,4-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[c] [l] benzopyran4,4-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[c][ l] benzopyran
데이터베이스 식별자
- CAS
35570-59-3- PubChem CID
- 215348
- DTXSID
DTXSID60956958- ChEMBL
CHEMBL3276135
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 492
관련 반응
11건
연결된 노트
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