methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate

C12H20O2 — CID 116842886

IUPACmethyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(C2CCCC2)CC1(C)C
InChIInChI=1S/C12H20O2/c1-11(2)8-12(11,10(13)14-3)9-6-4-5-7-9/h9H,4-8H2,1-3H3
InChIKeySWQKNKMIDZDAHH-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.77
Rot. Bonds2

About methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate

methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 116842886) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID116842886
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namemethyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(C2CCCC2)CC1(C)C
InChIInChI=1S/C12H20O2/c1-11(2)8-12(11,10(13)14-3)9-6-4-5-7-9/h9H,4-8H2,1-3H3
InChIKeySWQKNKMIDZDAHH-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate (CID 116842886) is methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate is COC(=O)C1(C2CCCC2)CC1(C)C.
What is the InChIKey of methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is SWQKNKMIDZDAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-11(2)8-12(11,10(13)14-3)9-6-4-5-7-9/h9H,4-8H2,1-3H3.
What are the key properties of methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate?
methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 196.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 116842886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).