3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate

C12H17O2- — CID 21241970

IUPAC3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC1(C)C(C=C2CCCC2)C1C(=O)[O-]
InChIInChI=1S/C12H18O2/c1-12(2)9(10(12)11(13)14)7-8-5-3-4-6-8/h7,9-10H,3-6H2,1-2H3,(H,13,14)/p-1
InChIKeyVBNQMVZJHJDIKD-UHFFFAOYSA-M
MW193.27 g/mol
LogP1.51
Rot. Bonds2

About 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate

3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 21241970) has the molecular formula C12H17O2- and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID21241970
Molecular FormulaC12H17O2-
Molecular Weight193.27 g/mol
Exact Mass193.12
IUPAC Name3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC1(C)C(C=C2CCCC2)C1C(=O)[O-]
InChIInChI=1S/C12H18O2/c1-12(2)9(10(12)11(13)14)7-8-5-3-4-6-8/h7,9-10H,3-6H2,1-2H3,(H,13,14)/p-1
InChIKeyVBNQMVZJHJDIKD-UHFFFAOYSA-M
XLogP1.51
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 21241970) is 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate is CC1(C)C(C=C2CCCC2)C1C(=O)[O-].
What is the InChIKey of 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is VBNQMVZJHJDIKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H18O2/c1-12(2)9(10(12)11(13)14)7-8-5-3-4-6-8/h7,9-10H,3-6H2,1-2H3,(H,13,14)/p-1.
What are the key properties of 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate?
3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 193.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 21241970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).