Free Chemical Databases
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[Synonyms]
EINECS 258-252-4
Dihydro-5-methyl-5-pentylfuran-2(3H)-one
52908-82-4
[Structure]
[ Properties Computed from Structure]
Molecular Weight 170.24872 [g/mol] Molecular Formula C10H18O2 XLogP 3.2 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 4 Tautomer Count 2 Exact Mass 170.13068 MonoIsotopic Mass 170.13068 Topological Polar Surface Area 26.3 Heavy Atom Count 12 Formal Charge 0 Complexity 165 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 5-methyl-5-pentyloxolan-2-one
Canonical SMILES: CCCCCC1(CCC(=O)O1)C
InChI: InChI=1/C10H18O2/c1-3-4-5-7-10(2)8-6-9(11)12-10/h3-8H2,1-2H3
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