cis-4-(1,1-디메틸에틸)-알파-에틸시클로헥산메탄올

cis-4-(1,1-Dimethylethyl)-alpha-ethylcyclohexanemethanol

HCID 11970532CAS 61065-79-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCC(O)C1CCC(C(C)(C)C)CC1
InChIKey: MOIDOWNIRCVQFD-UHFFFAOYSA-N
분자식: C13H26O
평균 분자량: 198.34 g/mol
단동위원소 질량: 198.19836545

이름 및 식별자

우선 이름: cis-4-(1,1-Dimethylethyl)-alpha-ethylcyclohexanemethanol
IUPAC: 1-(4-tert-butylcyclohexyl)propan-1-ol
현지명: cis-4-(1,1-디메틸에틸)-알파-에틸시클로헥산메탄올
영어명: cis-4-(1,1-dimethylethyl)-alpha-ethylcyclohexanemethanol
분자식: C13H26O
분자량: 198.35

이름 및 동의어

61065-79-0EINECS 262-580-3cis-4-(1,1-Dimethylethyl)-alpha-ethylcyclohexanemethanolrel-1-((1R,4r)-4-(tert-butyl)cyclohexyl)propan-1-olrel-1-((1S,4s)-4-(tert-butyl)cyclohexyl)propan-1-ol61065-80-31-(4-tert-butylcyclohexyl)propan-1-olSCHEMBL11458819SCHEMBL11458820DTXSID10976560MOIDOWNIRCVQFD-FQVSMOOPSA-NMOIDOWNIRCVQFD-UHFFFAOYSA-N

이름 더 보기

cis-4-(1,1-디메틸에틸)-알파-에틸시클로헥산메탄올cis-1-(4-(tert-Butyl)cyclohexyl)propan-1-olcis-4-(1,1-Dimethylethyl)-α-ethylcyclohexanemethanol4α-(1,1-Dimethylethyl)-α-ethyl-1α-cyclohexanemethanolCyclohexanemethanol, 4-(1,1-dimethylethyl)-α-ethyl-, cis-

AKOS0147359551-(1-Hydroxypropyl)-4-t-butylcyclohexaneDB-307754NS00055532trans-1-(1-hydroxypropyl)-4-t-butylcyclohexane

데이터베이스 식별자

CAS: 61065-79-0
PubChem CID: 11970532
DTXSID: DTXSID10976560
EC Number: 262-580-3
Nikkaji: J268.382B、J734.165B

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 161

물리화학적 성질

끓는 점: 259.261 · 259.261±8.00 °C(Press: 760.00 Torr)(predicted)
밀도: 0.892 · 0.892±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
산도 계수 (pKa): 15.117 · 15.117±0.20(predicted)

화학 및 산업

공급사1 곳

上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

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