(4-ethyl-3-propylcyclohexyl) prop-2-enoate

C14H24O2 — CID 166969439

IUPAC(4-ethyl-3-propylcyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1CCC(CC)C(CCC)C1
InChIInChI=1S/C14H24O2/c1-4-7-12-10-13(16-14(15)6-3)9-8-11(12)5-2/h6,11-13H,3-5,7-10H2,1-2H3
InChIKeySKHBZTVXSNHEOT-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.71
Rot. Bonds5

About (4-ethyl-3-propylcyclohexyl) prop-2-enoate

(4-ethyl-3-propylcyclohexyl) prop-2-enoate (PubChem CID 166969439) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (4-ethyl-3-propylcyclohexyl) prop-2-enoate.

Molecular Properties

Compound Name(4-ethyl-3-propylcyclohexyl) prop-2-enoate
PubChem CID166969439
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(4-ethyl-3-propylcyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1CCC(CC)C(CCC)C1
InChIInChI=1S/C14H24O2/c1-4-7-12-10-13(16-14(15)6-3)9-8-11(12)5-2/h6,11-13H,3-5,7-10H2,1-2H3
InChIKeySKHBZTVXSNHEOT-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-ethyl-3-propylcyclohexyl) prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3-propylcyclohexyl) prop-2-enoate?
The IUPAC name of (4-ethyl-3-propylcyclohexyl) prop-2-enoate (CID 166969439) is (4-ethyl-3-propylcyclohexyl) prop-2-enoate.
What is the SMILES notation for (4-ethyl-3-propylcyclohexyl) prop-2-enoate?
The canonical SMILES for (4-ethyl-3-propylcyclohexyl) prop-2-enoate is C=CC(=O)OC1CCC(CC)C(CCC)C1.
What is the InChIKey of (4-ethyl-3-propylcyclohexyl) prop-2-enoate?
The InChIKey is SKHBZTVXSNHEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-7-12-10-13(16-14(15)6-3)9-8-11(12)5-2/h6,11-13H,3-5,7-10H2,1-2H3.
What are the key properties of (4-ethyl-3-propylcyclohexyl) prop-2-enoate?
(4-ethyl-3-propylcyclohexyl) prop-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3-propylcyclohexyl) prop-2-enoate is sourced from PubChem (CID 166969439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).