Cas no 92739-56-5 (1,8-Octanediol, 4,5-bis(methylene)-)
92739-56-5 structure
Product Name:1,8-Octanediol, 4,5-bis(methylene)-
CAS No:92739-56-5
MF:C10H18O2
MW:170.248723506927
CID:735848
PubChem ID:13442276
Update Time:2025-04-19
1,8-Octanediol, 4,5-bis(methylene)- Chemical and Physical Properties
Names and Identifiers
-
- 1,8-Octanediol, 4,5-bis(methylene)-
- 4,5-dimethylideneoctane-1,8-diol
- DTXSID60540957
- 92739-56-5
- 4,5-dimethylene-1,8-octanediol
-
- Inchi： 1S/C10H18O2/c1-9(5-3-7-11)10(2)6-4-8-12/h11-12H,1-8H2
- InChI Key： HUUYMQFDAQFHPE-UHFFFAOYSA-N
- SMILES： OCCCC(=C)C(=C)CCCO
Computed Properties
- Exact Mass: 170.130679813g/mol
- Monoisotopic Mass: 170.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 132
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 40.5?2
1,8-Octanediol, 4,5-bis(methylene)- Related Literature
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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