Cas no 19424-41-0 (3,4-Hexanediol, 2,2,5,5-tetramethyl-)
19424-41-0 structure
Product Name:3,4-Hexanediol, 2,2,5,5-tetramethyl-
CAS No:19424-41-0
MF:C10H22O2
MW:174.280483722687
CID:1386732
PubChem ID:10954025
Update Time:2025-04-20
3,4-Hexanediol, 2,2,5,5-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Hexanediol, 2,2,5,5-tetramethyl-
- 2,2,5,5-tetramethylhexane-3,4-diol
- 2,2,5,5-tetramethyl-hexane-3,4-diol
- 19424-41-0
- DTXSID20449578
- 2,2,5,5-tetramethyl-3,4-hexanediol
- SCHEMBL10197407
-
- Inchi： 1S/C10H22O2/c1-9(2,3)7(11)8(12)10(4,5)6/h7-8,11-12H,1-6H3
- InChI Key： AVZDCZIXVMGOQQ-UHFFFAOYSA-N
- SMILES： OC(C(C)(C)C)C(C(C)(C)C)O
Computed Properties
- Exact Mass: 174.161979940g/mol
- Monoisotopic Mass: 174.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 121
- 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: 2.4
- Topological Polar Surface Area: 40.5?2
3,4-Hexanediol, 2,2,5,5-tetramethyl- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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