Cas no 24892-55-5 (octane-3,5-diol)
octane-3,5-diol structure
Product Name:octane-3,5-diol
CAS No:24892-55-5
MF:C8H18O2
MW:146.227323055267
CID:1419883
PubChem ID:9812809
Update Time:2025-04-20
octane-3,5-diol Chemical and Physical Properties
Names and Identifiers
-
- octane-3,5-diol
- 3,5-Octanediol
- LogP
- Ethyl-1,3-hexanediol
- SCHEMBL431429
- 24892-55-5
-
- Inchi： 1S/C8H18O2/c1-3-5-8(10)6-7(9)4-2/h7-10H,3-6H2,1-2H3
- InChI Key： WYNVIVRXHYGNRT-UHFFFAOYSA-N
- SMILES： OC(CCC)CC(CC)O
Computed Properties
- Exact Mass: 146.13074
- Monoisotopic Mass: 146.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 73.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
octane-3,5-diol Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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