ethyl cyclopent-3-ene-1-carboxylate

C8H12O2 — CID 5314991

IUPACethyl cyclopent-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=CC1
InChIInChI=1S/C8H12O2/c1-2-10-8(9)7-5-3-4-6-7/h3-4,7H,2,5-6H2,1H3
InChIKeyCTLAIKSGNQPPLO-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.52
Rot. Bonds2

About ethyl cyclopent-3-ene-1-carboxylate

ethyl cyclopent-3-ene-1-carboxylate (PubChem CID 5314991) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is ethyl cyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl cyclopent-3-ene-1-carboxylate
PubChem CID5314991
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Nameethyl cyclopent-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=CC1
InChIInChI=1S/C8H12O2/c1-2-10-8(9)7-5-3-4-6-7/h3-4,7H,2,5-6H2,1H3
InChIKeyCTLAIKSGNQPPLO-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Hexenyl 2-methylbutyrate, (3Z)-
CID 5365069
3-Hexenyl isovalerate, (3Z)-
CID 5367681
Ethyl 2-methyl-4-pentenoate
CID 62024
3-Hexenyl 2-methylbutyrate
CID 61467
Lavandulyl acetate
CID 30247
Hept-2-enyl isovalerate
CID 3023610
HEPT-2-enyl isovalerate, (2E)-
CID 6366434
Butanoic acid, 3-methyl-, 3-hexenyl ester
CID 37065
3-Cyclohexene-1-carboxylic acid, ethyl ester
CID 85803
2-Cyclopentene-1-acetic acid, ethyl ester
CID 10877336
4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, 1-acetate, (2R)-
CID 14268092
Hex-3-enyl 2-ethylbutanoate
CID 6366381

Frequently Asked Questions

What is the IUPAC name of ethyl cyclopent-3-ene-1-carboxylate?
The IUPAC name of ethyl cyclopent-3-ene-1-carboxylate (CID 5314991) is ethyl cyclopent-3-ene-1-carboxylate.
What is the SMILES notation for ethyl cyclopent-3-ene-1-carboxylate?
The canonical SMILES for ethyl cyclopent-3-ene-1-carboxylate is CCOC(=O)C1CC=CC1.
What is the InChIKey of ethyl cyclopent-3-ene-1-carboxylate?
The InChIKey is CTLAIKSGNQPPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-10-8(9)7-5-3-4-6-7/h3-4,7H,2,5-6H2,1H3.
What are the key properties of ethyl cyclopent-3-ene-1-carboxylate?
ethyl cyclopent-3-ene-1-carboxylate has a molecular weight of 140.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl cyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 5314991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).