Cas no 66793-89-3 (3-hexanol, 2,2,4-trimethyl-)
3-hexanol, 2,2,4-trimethyl- structure
Product Name:3-hexanol, 2,2,4-trimethyl-
CAS No:66793-89-3
MF:C9H20O
MW:144.254503250122
CID:863299
PubChem ID:19973858
Update Time:2025-04-19
3-hexanol, 2,2,4-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-hexanol, 2,2,4-trimethyl-
- 2,2,4-trimethylhexan-3-ol
- 66793-89-3
- 2,2,4-TRIMETHYL-3-HEXANOL
- SCHEMBL4453495
- AKOS013028740
- DTXSID60601597
-
- Inchi： 1S/C9H20O/c1-6-7(2)8(10)9(3,4)5/h7-8,10H,6H2,1-5H3
- InChI Key： YMBVVPXERVAJTB-UHFFFAOYSA-N
- SMILES： OC(C(C)CC)C(C)(C)C
Computed Properties
- Exact Mass: 144.1515
- Monoisotopic Mass: 144.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 91.4
- 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: 3
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
3-hexanol, 2,2,4-trimethyl- Related Literature
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
66793-89-3 (3-hexanol, 2,2,4-trimethyl-) Related Products
- 19549-72-5(2,4-Dimethyl-3-heptanol)
- 1838-73-9(3-Methyl-4-heptanol)
- 617-29-8(2-Methyl-3-hexanol)
- 19550-07-3(2,5-Dimethyl-3-hexanol)
- 19780-39-3(3-Ethyl-2-heptanol)
- 16844-71-6(Epifriedelanol)
- 18720-62-2(2-Methyl-3-heptanol)
- 14979-39-6(4-Methyl-3-heptanol)
- 4209-90-9(2,2-Dimethyl-3-hexanol)
- 144-19-4(2,2,4-Trimethyl-1,3-pentanediol)
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