ethyl 2-cyclohexylidenepropanoate

C11H18O2 — CID 12532726

IUPACethyl 2-cyclohexylidenepropanoate
SMILESCCOC(=O)C(C)=C1CCCCC1
InChIInChI=1S/C11H18O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h3-8H2,1-2H3
InChIKeyGKYTXKTWJSHPFK-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds2

About ethyl 2-cyclohexylidenepropanoate

ethyl 2-cyclohexylidenepropanoate (PubChem CID 12532726) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl 2-cyclohexylidenepropanoate.

Molecular Properties

Compound Nameethyl 2-cyclohexylidenepropanoate
PubChem CID12532726
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl 2-cyclohexylidenepropanoate
SMILESCCOC(=O)C(C)=C1CCCCC1
InChIInChI=1S/C11H18O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h3-8H2,1-2H3
InChIKeyGKYTXKTWJSHPFK-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexylidenepropanoate?
The IUPAC name of ethyl 2-cyclohexylidenepropanoate (CID 12532726) is ethyl 2-cyclohexylidenepropanoate.
What is the SMILES notation for ethyl 2-cyclohexylidenepropanoate?
The canonical SMILES for ethyl 2-cyclohexylidenepropanoate is CCOC(=O)C(C)=C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexylidenepropanoate?
The InChIKey is GKYTXKTWJSHPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h3-8H2,1-2H3.
What are the key properties of ethyl 2-cyclohexylidenepropanoate?
ethyl 2-cyclohexylidenepropanoate has a molecular weight of 182.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexylidenepropanoate is sourced from PubChem (CID 12532726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).