ethyl 4-(cyclohexen-1-ylmethyl)furan-3-carboxylate

C14H18O3 — CID 10489877

IUPACethyl 4-(cyclohexen-1-ylmethyl)furan-3-carboxylate
SMILESCCOC(=O)c1cocc1CC1=CCCCC1
InChIInChI=1S/C14H18O3/c1-2-17-14(15)13-10-16-9-12(13)8-11-6-4-3-5-7-11/h6,9-10H,2-5,7-8H2,1H3
InChIKeyOSYMYYZCCZGIAI-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.50
Rot. Bonds4

About ethyl 4-(cyclohexen-1-ylmethyl)furan-3-carboxylate

ethyl 4-(cyclohexen-1-ylmethyl)furan-3-carboxylate (PubChem CID 10489877) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethyl 4-(cyclohexen-1-ylmethyl)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclohexen-1-ylmethyl)furan-3-carboxylate
PubChem CID10489877
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nameethyl 4-(cyclohexen-1-ylmethyl)furan-3-carboxylate
SMILESCCOC(=O)c1cocc1CC1=CCCCC1
InChIInChI=1S/C14H18O3/c1-2-17-14(15)13-10-16-9-12(13)8-11-6-4-3-5-7-11/h6,9-10H,2-5,7-8H2,1H3
InChIKeyOSYMYYZCCZGIAI-UHFFFAOYSA-N
XLogP3.50
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 4-(cyclohexen-1-ylmethyl)furan-3-carboxylate 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 ethyl 4-(cyclohexen-1-ylmethyl)furan-3-carboxylate?
The IUPAC name of ethyl 4-(cyclohexen-1-ylmethyl)furan-3-carboxylate (CID 10489877) is ethyl 4-(cyclohexen-1-ylmethyl)furan-3-carboxylate.
What is the SMILES notation for ethyl 4-(cyclohexen-1-ylmethyl)furan-3-carboxylate?
The canonical SMILES for ethyl 4-(cyclohexen-1-ylmethyl)furan-3-carboxylate is CCOC(=O)c1cocc1CC1=CCCCC1.
What is the InChIKey of ethyl 4-(cyclohexen-1-ylmethyl)furan-3-carboxylate?
The InChIKey is OSYMYYZCCZGIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-17-14(15)13-10-16-9-12(13)8-11-6-4-3-5-7-11/h6,9-10H,2-5,7-8H2,1H3.
What are the key properties of ethyl 4-(cyclohexen-1-ylmethyl)furan-3-carboxylate?
ethyl 4-(cyclohexen-1-ylmethyl)furan-3-carboxylate has a molecular weight of 234.29 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclohexen-1-ylmethyl)furan-3-carboxylate is sourced from PubChem (CID 10489877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).