ethyl 5-cyclohexyl-2-methylidenepentanoate

C14H24O2 — CID 54419238

IUPACethyl 5-cyclohexyl-2-methylidenepentanoate
SMILESC=C(CCCC1CCCCC1)C(=O)OCC
InChIInChI=1S/C14H24O2/c1-3-16-14(15)12(2)8-7-11-13-9-5-4-6-10-13/h13H,2-11H2,1H3
InChIKeyVZPZYXUWOXYWJB-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.86
Rot. Bonds6

About ethyl 5-cyclohexyl-2-methylidenepentanoate

ethyl 5-cyclohexyl-2-methylidenepentanoate (PubChem CID 54419238) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethyl 5-cyclohexyl-2-methylidenepentanoate.

Molecular Properties

Compound Nameethyl 5-cyclohexyl-2-methylidenepentanoate
PubChem CID54419238
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethyl 5-cyclohexyl-2-methylidenepentanoate
SMILESC=C(CCCC1CCCCC1)C(=O)OCC
InChIInChI=1S/C14H24O2/c1-3-16-14(15)12(2)8-7-11-13-9-5-4-6-10-13/h13H,2-11H2,1H3
InChIKeyVZPZYXUWOXYWJB-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.86
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 5-cyclohexyl-2-methylidenepentanoate?
The IUPAC name of ethyl 5-cyclohexyl-2-methylidenepentanoate (CID 54419238) is ethyl 5-cyclohexyl-2-methylidenepentanoate.
What is the SMILES notation for ethyl 5-cyclohexyl-2-methylidenepentanoate?
The canonical SMILES for ethyl 5-cyclohexyl-2-methylidenepentanoate is C=C(CCCC1CCCCC1)C(=O)OCC.
What is the InChIKey of ethyl 5-cyclohexyl-2-methylidenepentanoate?
The InChIKey is VZPZYXUWOXYWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-16-14(15)12(2)8-7-11-13-9-5-4-6-10-13/h13H,2-11H2,1H3.
What are the key properties of ethyl 5-cyclohexyl-2-methylidenepentanoate?
ethyl 5-cyclohexyl-2-methylidenepentanoate has a molecular weight of 224.34 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclohexyl-2-methylidenepentanoate is sourced from PubChem (CID 54419238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).