Cas no 85520-72-5 (1-Hepten-4-ol, (S)-)
1-Hepten-4-ol, (S)- structure
Product Name:1-Hepten-4-ol, (S)-
CAS No:85520-72-5
MF:C7H14O
MW:114.185462474823
CID:1838590
PubChem ID:6993374
Update Time:2025-04-21
1-Hepten-4-ol, (S)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Hepten-4-ol, (S)-
- (R,S)-Hept-1-en-4-ol
- 85520-72-5
- (4S)-hept-1-en-4-ol
- (S)-hept-1-en-4-ol
- AQTUHJABKZECGA-SSDOTTSWSA-N
-
- Inchi： 1S/C7H14O/c1-3-5-7(8)6-4-2/h3,7-8H,1,4-6H2,2H3/t7-/m1/s1
- InChI Key： AQTUHJABKZECGA-SSDOTTSWSA-N
- SMILES： O[C@H](CC=C)CCC
Computed Properties
- Exact Mass: 114.104465066g/mol
- Monoisotopic Mass: 114.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 59.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 20.2?2
1-Hepten-4-ol, (S)- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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