기본 정보
- CAS
101564-61-8- 표준 SMILES
C=C(C)C#CC(O)(C(=O)OC1CN2CCC1CC2)C(C)C- InChIKey
OIPYMFMOSBQFCM-UHFFFAOYSA-N- 분자식
- C17H25NO3
- 평균 분자량
- 291.4 g/mol
- 단동위원소 질량
- 291.18344366
이름 및 식별자
- 우선 이름
- 3-Hexyn-5-enoic acid, 2-hydroxy-2-isopropyl-5-methyl-, 3-quinuclidinyl ester
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-propan-2-ylhex-5-en-3-ynoate
- 영어명
- 1-azabicyclo[2.2.2]oct-8-yl 2-hydroxy-5-methyl-2-propan-2-yl-hex-5-en- 3-ynoate
- 분자식
- C17H25NO3
- 분자량
- 0
이름 및 동의어
101564-61-83-Quinuclidyl isopropyl(3-methylbut-1-yn-3-enyl)glycolate A3-HEXYN-5-ENOIC ACID, 2-HYDROXY-2-ISOPROPYL-5-METHYL-, 3-QUINUCLIDINYL ESTERRefChem:279684NSC6658661-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-propan-2-ylhex-5-en-3-ynoate5-Hexen-3-ynoic acid,2-hydroxy-5-methyl-2-(1-methylethyl)-, 1-azabicyclo[2.2.2]oct-3-yl esterCHEMBL1997327DTXSID00906351NSC-6658661-Azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2-isopropyl-5-methyl-5-hexen-3-ynoate1-AZABICYCLO[2.2.2]OCT-8-YL 2-HYDROXY-5-METHYL-2-PROPAN-2-YL-HEX-5-EN- 3-YNOATE
이름 더 보기
NCI60_022806quinuclidin-3-yl 2-hydroxy-2-isopropyl-5-methyl-hex-5-en-3-ynoate1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-(propan-2-yl)hex-5-en-3-ynoate5-Hexen-3-ynoic acid, 2-hydroxy-5-methyl-2-(1-methylethyl)-, 1-azabicyclo[2.2.2]oct-3-yl ester
데이터베이스 식별자
- CAS
101564-61-8
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 49.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 491
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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