Cas no 61317-72-4 (1-Pentyn-3-ol, 4,4-dimethyl-, (R)-)
61317-72-4 structure
Product Name:1-Pentyn-3-ol, 4,4-dimethyl-, (R)-
CAS No:61317-72-4
MF:C7H12O
MW:112.169582366943
CID:484330
PubChem ID:12384073
Update Time:2025-04-19
1-Pentyn-3-ol, 4,4-dimethyl-, (R)- Chemical and Physical Properties
Names and Identifiers
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- 1-Pentyn-3-ol, 4,4-dimethyl-, (R)-
- (3R)-4,4-dimethylpent-1-yn-3-ol
- DTXSID10495645
- 61317-72-4
-
- Inchi： 1S/C7H12O/c1-5-6(8)7(2,3)4/h1,6,8H,2-4H3/t6-/m0/s1
- InChI Key： ILPLTEOGHOQFHJ-LURJTMIESA-N
- SMILES： O[C@@H](C#C)C(C)(C)C
Computed Properties
- Exact Mass: 112.08886
- Monoisotopic Mass: 112.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 110
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
1-Pentyn-3-ol, 4,4-dimethyl-, (R)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
61317-72-4 (1-Pentyn-3-ol, 4,4-dimethyl-, (R)-) Related Products
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