methyl 1-cyclopropylcyclohexane-1-carboxylate

C11H18O2 — CID 10954158

IUPACmethyl 1-cyclopropylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(C2CC2)CCCCC1
InChIInChI=1S/C11H18O2/c1-13-10(12)11(9-5-6-9)7-3-2-4-8-11/h9H,2-8H2,1H3
InChIKeyMXSYQCFMUKFWBG-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.52
Rot. Bonds2

About methyl 1-cyclopropylcyclohexane-1-carboxylate

methyl 1-cyclopropylcyclohexane-1-carboxylate (PubChem CID 10954158) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl 1-cyclopropylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopropylcyclohexane-1-carboxylate
PubChem CID10954158
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl 1-cyclopropylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(C2CC2)CCCCC1
InChIInChI=1S/C11H18O2/c1-13-10(12)11(9-5-6-9)7-3-2-4-8-11/h9H,2-8H2,1H3
InChIKeyMXSYQCFMUKFWBG-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopropylcyclohexane-1-carboxylate?
The IUPAC name of methyl 1-cyclopropylcyclohexane-1-carboxylate (CID 10954158) is methyl 1-cyclopropylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-cyclopropylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-cyclopropylcyclohexane-1-carboxylate is COC(=O)C1(C2CC2)CCCCC1.
What is the InChIKey of methyl 1-cyclopropylcyclohexane-1-carboxylate?
The InChIKey is MXSYQCFMUKFWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-13-10(12)11(9-5-6-9)7-3-2-4-8-11/h9H,2-8H2,1H3.
What are the key properties of methyl 1-cyclopropylcyclohexane-1-carboxylate?
methyl 1-cyclopropylcyclohexane-1-carboxylate has a molecular weight of 182.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopropylcyclohexane-1-carboxylate is sourced from PubChem (CID 10954158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).