Cas no 89458-21-9 (1-Pentyn-3-ol, 3,4-dimethyl-1-phenyl-)
89458-21-9 structure
Product Name:1-Pentyn-3-ol, 3,4-dimethyl-1-phenyl-
CAS No:89458-21-9
MF:C13H16O
MW:188.265543937683
CID:599691
PubChem ID:11805492
Update Time:2025-04-19
1-Pentyn-3-ol, 3,4-dimethyl-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentyn-3-ol, 3,4-dimethyl-1-phenyl-
- 3,4-dimethyl-1-phenylpent-1-yn-3-ol
- DTXSID30473081
- SCHEMBL11051942
- 89458-21-9
-
- Inchi： 1S/C13H16O/c1-11(2)13(3,14)10-9-12-7-5-4-6-8-12/h4-8,11,14H,1-3H3
- InChI Key： BTTZOBXMAQPHLF-UHFFFAOYSA-N
- SMILES： OC(C#CC1C=CC=CC=1)(C)C(C)C
Computed Properties
- Exact Mass: 188.120115130g/mol
- Monoisotopic Mass: 188.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 237
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 20.2?2
1-Pentyn-3-ol, 3,4-dimethyl-1-phenyl- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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