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2-Methoxycarbonylmethyl-3-methylcyclopentanecarboxylic acid, methyl es

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摘 要:2-Methoxycarbonylmethyl-3-methylcyclopentanecarboxylic acid, methyl ester methyl 2-(2-methoxy-2-oxoethyl)-3-methylcyclopentane-1-carboxylate,Canonical SMILES: CC1CCC(C1CC(=O)OC)C(=O)OC,InChI: InChI=1/C11H18O4/c1-7-4-5-8(11(13)15-3)9(7)6-10(12)14-2/h7
[Synonyms]
2-Methoxycarbonylmethyl-3-methylcyclopentanecarboxylic acid, methyl ester
[Structure]
2-Methoxycarbonylmethyl-3-methylcyclopentanecarboxylic acid, methyl es

[ Properties Computed from Structure]
Molecular Weight214.25822 [g/mol]
Molecular FormulaC11H18O4
XLogP1.8
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count5
Exact Mass214.120509
MonoIsotopic Mass214.120509
Topological Polar Surface Area52.6
Heavy Atom Count15
Formal Charge0
Complexity249
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count3
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: methyl 2-(2-methoxy-2-oxoethyl)-3-methylcyclopentane-1-carboxylate
Canonical SMILES: CC1CCC(C1CC(=O)OC)C(=O)OC
InChI: InChI=1/C11H18O4/c1-7-4-5-8(11(13)15-3)9(7)6-10(12)14-2/h7-9H,4-6H2,
1-3H3

 
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