Cas no 10348-66-0 (3-Hexen-1-ol, 3-methyl-)
3-Hexen-1-ol, 3-methyl- structure
Product Name:3-Hexen-1-ol, 3-methyl-
CAS No:10348-66-0
MF:C7H14O
MW:114.185462474823
CID:1137599
PubChem ID:53696356
Update Time:2025-04-20
3-Hexen-1-ol, 3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Hexen-1-ol, 3-methyl-
- 3-methylhex-3-en-1-ol
- 10348-66-0
- DTXSID10706021
- BQURYLHIDQYWFD-UHFFFAOYSA-N
-
- Inchi： 1S/C7H14O/c1-3-4-7(2)5-6-8/h4,8H,3,5-6H2,1-2H3
- InChI Key： BQURYLHIDQYWFD-UHFFFAOYSA-N
- SMILES： OCCC(C)=CCC
Computed Properties
- Exact Mass: 114.10452
- 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: 3
- Complexity: 74.5
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.9
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
3-Hexen-1-ol, 3-methyl- Related Literature
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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