Cas no 131766-70-6 (4-methyl-2-(2-methylprop-1-enyl)tetrahydropyran-4-ol)
131766-70-6 structure
Product Name:4-methyl-2-(2-methylprop-1-enyl)tetrahydropyran-4-ol
CAS No:131766-70-6
MF:C10H18O2
MW:170.248723506927
CID:1229089
PubChem ID:58535189
Update Time:2025-04-20
4-methyl-2-(2-methylprop-1-enyl)tetrahydropyran-4-ol Chemical and Physical Properties
Names and Identifiers
-
- 4-methyl-2-(2-methylprop-1-enyl)tetrahydropyran-4-ol
- 2H-pyran-<wbr>
- 4-Methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran-4-ol
- LogP
- 131766-70-6
- SCHEMBL12021591
- DTXSID301185646
- Tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-2H-pyran-4-ol
-
- Inchi: 1S/C10H18O2/c1-8(2)6-9-7-10(3,11)4-5-12-9/h6,9,11H,4-5,7H2,1-3H3
- InChI Key: OUIIZXMXNQSKBC-UHFFFAOYSA-N
- SMILES: O1CCC(C)(CC1/C=C(\C)/C)O
Computed Properties
- Exact Mass: 170.13074
- Monoisotopic Mass: 170.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 182
- 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: 1.7
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- Density: 1.031
- Boiling Point: 254.6°C at 760 mmHg
- Flash Point: 98°C
- Refractive Index: 1.531
- PSA: 29.46
4-methyl-2-(2-methylprop-1-enyl)tetrahydropyran-4-ol Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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