[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate

C17H24O4 — CID 22978990

IUPAC[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCC1(OC(=O)COC(=O)C2CC3C=CC2C3)CCCC1
InChIInChI=1S/C17H24O4/c1-2-17(7-3-4-8-17)21-15(18)11-20-16(19)14-10-12-5-6-13(14)9-12/h5-6,12-14H,2-4,7-11H2,1H3
InChIKeyPIHWAMVSMNBXHZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.01
Rot. Bonds5

About [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate

[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 22978990) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID22978990
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCC1(OC(=O)COC(=O)C2CC3C=CC2C3)CCCC1
InChIInChI=1S/C17H24O4/c1-2-17(7-3-4-8-17)21-15(18)11-20-16(19)14-10-12-5-6-13(14)9-12/h5-6,12-14H,2-4,7-11H2,1H3
InChIKeyPIHWAMVSMNBXHZ-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-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 [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 22978990) is [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate is CCC1(OC(=O)COC(=O)C2CC3C=CC2C3)CCCC1.
What is the InChIKey of [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is PIHWAMVSMNBXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-2-17(7-3-4-8-17)21-15(18)11-20-16(19)14-10-12-5-6-13(14)9-12/h5-6,12-14H,2-4,7-11H2,1H3.
What are the key properties of [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate?
[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethylcyclopentyl)oxy-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 22978990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).