ethyl 2-cyclohexylcyclohexene-1-carboxylate

C15H24O2 — CID 134967217

IUPACethyl 2-cyclohexylcyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(C2CCCCC2)CCCC1
InChIInChI=1S/C15H24O2/c1-2-17-15(16)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h12H,2-11H2,1H3
InChIKeyJEOKHYJPIYAWAU-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.00
Rot. Bonds3

About ethyl 2-cyclohexylcyclohexene-1-carboxylate

ethyl 2-cyclohexylcyclohexene-1-carboxylate (PubChem CID 134967217) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is ethyl 2-cyclohexylcyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclohexylcyclohexene-1-carboxylate
PubChem CID134967217
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Nameethyl 2-cyclohexylcyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(C2CCCCC2)CCCC1
InChIInChI=1S/C15H24O2/c1-2-17-15(16)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h12H,2-11H2,1H3
InChIKeyJEOKHYJPIYAWAU-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexylcyclohexene-1-carboxylate?
The IUPAC name of ethyl 2-cyclohexylcyclohexene-1-carboxylate (CID 134967217) is ethyl 2-cyclohexylcyclohexene-1-carboxylate.
What is the SMILES notation for ethyl 2-cyclohexylcyclohexene-1-carboxylate?
The canonical SMILES for ethyl 2-cyclohexylcyclohexene-1-carboxylate is CCOC(=O)C1=C(C2CCCCC2)CCCC1.
What is the InChIKey of ethyl 2-cyclohexylcyclohexene-1-carboxylate?
The InChIKey is JEOKHYJPIYAWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-2-17-15(16)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h12H,2-11H2,1H3.
What are the key properties of ethyl 2-cyclohexylcyclohexene-1-carboxylate?
ethyl 2-cyclohexylcyclohexene-1-carboxylate has a molecular weight of 236.35 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexylcyclohexene-1-carboxylate is sourced from PubChem (CID 134967217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).