ethyl 2-cyclohexylidenepentanoate

C13H22O2 — CID 12532732

IUPACethyl 2-cyclohexylidenepentanoate
SMILESCCCC(C(=O)OCC)=C1CCCCC1
InChIInChI=1S/C13H22O2/c1-3-8-12(13(14)15-4-2)11-9-6-5-7-10-11/h3-10H2,1-2H3
InChIKeyUTEVPENJCIBTOW-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.61
Rot. Bonds4

About ethyl 2-cyclohexylidenepentanoate

ethyl 2-cyclohexylidenepentanoate (PubChem CID 12532732) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is ethyl 2-cyclohexylidenepentanoate.

Molecular Properties

Compound Nameethyl 2-cyclohexylidenepentanoate
PubChem CID12532732
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nameethyl 2-cyclohexylidenepentanoate
SMILESCCCC(C(=O)OCC)=C1CCCCC1
InChIInChI=1S/C13H22O2/c1-3-8-12(13(14)15-4-2)11-9-6-5-7-10-11/h3-10H2,1-2H3
InChIKeyUTEVPENJCIBTOW-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.61
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-cyclohexylidenepentanoate?
The IUPAC name of ethyl 2-cyclohexylidenepentanoate (CID 12532732) is ethyl 2-cyclohexylidenepentanoate.
What is the SMILES notation for ethyl 2-cyclohexylidenepentanoate?
The canonical SMILES for ethyl 2-cyclohexylidenepentanoate is CCCC(C(=O)OCC)=C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexylidenepentanoate?
The InChIKey is UTEVPENJCIBTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-8-12(13(14)15-4-2)11-9-6-5-7-10-11/h3-10H2,1-2H3.
What are the key properties of ethyl 2-cyclohexylidenepentanoate?
ethyl 2-cyclohexylidenepentanoate has a molecular weight of 210.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexylidenepentanoate is sourced from PubChem (CID 12532732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).