Free Chemical Databases
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[Synonyms]
Cyclopentene,1-heptyl-
1-Heptyl-1-cyclopentene
Cyclopentene, 1-heptyl-
4292-00-6
[Structure]
[ Properties Computed from Structure]
Molecular Weight 166.30308 [g/mol] Molecular Formula C12H22 XLogP 4.4 H-Bond Donor 0 H-Bond Acceptor 0 Rotatable Bond Count 6 Exact Mass 166.172151 MonoIsotopic Mass 166.172151 Topological Polar Surface Area 0 Heavy Atom Count 12 Formal Charge 0 Complexity 133 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-heptylcyclopentene
Canonical SMILES: CCCCCCCC1=CCCC1
InChI: InChI=1/C12H22/c1-2-3-4-5-6-9-12-10-7-8-11-12/h10H,2-9,11H2,1H3
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