4-(3-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

HCID 54034727

기본 정보

CAS
14398-34-6
표준 SMILES
CC(=O)C=CC1=C(C)C(O)CCC1(C)C
InChIKey
LICNQDPDQQOXCU-UHFFFAOYSA-N
분자식
C13H20O2
평균 분자량
208.3 g/mol
단동위원소 질량
208.14632988

이름 및 식별자

우선 이름
4-(3-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
IUPAC
4-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
영어명
3-Buten-2-one, 4-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
분자식
C13H20O2
분자량
208.3

이름 및 동의어

4-(3-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one4-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-oneSCHEMBL8011547DTXSID20708556LICNQDPDQQOXCU-UHFFFAOYSA-N1-(2,6,6,-trimethyl-3-hydroxy-1-cyclohexen-1-yl)-3-oxo-1-butene4-(2,6,6-trimethyl-3-hydroxy-cyclohex-1-en-1-yl)-but-3-en-2-one4-Hydroxy-β-ionone(2,6,6-Trimethyl-3-hydroxy-1-cyclohexen-1-yl)-3-oxo-trans-1-butene(3E)-4-(3-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one3-Buten-2-one, 4-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-3-Buten-2-one, 4-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-

데이터베이스 식별자

CAS
14398-34-6
PubChem CID
54034727
DTXSID
DTXSID20708556

물성

구조 계산 물성

XLogP
1.4
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
15

물리화학적 성질

끓는 점
335 · 335.0±25.0 °C(Predicted)
밀도
1.038 · 1.038±0.06 g/cm3(Predicted)
산도 계수 (pKa)
14.49 · 14.49±0.70(Predicted)

화학 및 산업

공급사7 곳

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]

관련 반응

6건

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