[(2Z,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]-triphenylphosphanium
기본 정보
- CAS
66879-87-6- 표준 SMILES
CC1=C(/C=C/C(C)=C\C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(C)(C)CCC1- InChIKey
UJUZVVSRNMBGRO-LVLPOLCMSA-N- 분자식
- C33H38P+
- 평균 분자량
- 465.6 g/mol
- 단동위원소 질량
- 465.27111321
이름 및 식별자
- 우선 이름
- [(2Z,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]-triphenylphosphanium
- IUPAC
- [(2Z,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]-triphenylphosphanium
- 영어명
- Phosphonium, [3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienyl]triphenyl-, (Z,E)- (9CI)
- 분자식
- C33H38P+
- 분자량
- 465.64
이름 및 동의어
T85SBE5QAS66879-87-6SCHEMBL15450615[(2Z,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]-triphenylphosphaniumNS00004833(3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)penta-2,4-dienyl)triphenylphosphonium, (Z,E)-(Z,E)-(3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)penta-2,4-dienyl)triphenylphosphoniumPhosphonium, [3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienyl]triphenyl-, (Z,E)-Vitamin A Impurity 21Thioctic Acid Impurity 68Phosphonium, [3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienyl]triphenyl-, (Z,E)- (9CI)
데이터베이스 식별자
- CAS
66879-87-6- PubChem CID
- 6365508
- UNII
- T85SBE5QAS
물성
구조 계산 물성
- XLogP
- 8.9
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 1
- 복잡도
- 687
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