Cas no 3285-02-7 (2(3H)-Furanone,dihydro-5-methyl-5-(3-methylbutyl)-)
3285-02-7 structure
Product Name:2(3H)-Furanone,dihydro-5-methyl-5-(3-methylbutyl)-
CAS No:3285-02-7
MF:C10H18O2
MW:170.248723506927
CID:317041
PubChem ID:102965
Update Time:2025-04-19
2(3H)-Furanone,dihydro-5-methyl-5-(3-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Furanone,dihydro-5-methyl-5-(3-methylbutyl)-
- Dihydro-5-methyl-5-(3-methylbutyl)furan-2(3H)-one; 5-methyl-5-(3-methylbutyl)dihydrofuran-2(3H)-one
- DTXSID20954495
- NS00049609
- Dihydro-5-methyl-5-(3-methylbutyl)furan-2(3H)-one
- 5-methyl-5-(3-methylbutyl)oxolan-2-one
- 3285-02-7
- EINECS 221-935-2
-
- Inchi： 1S/C10H18O2/c1-8(2)4-6-10(3)7-5-9(11)12-10/h8H,4-7H2,1-3H3
- InChI Key： ISDHGLPSHGTVBV-UHFFFAOYSA-N
- SMILES： O1C(CCC1(C)CCC(C)C)=O
Computed Properties
- Exact Mass: 170.13074
- Monoisotopic Mass: 170.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 175
- 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: 2.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2(3H)-Furanone,dihydro-5-methyl-5-(3-methylbutyl)- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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