ethyl 1-[(E)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate

C15H24O4 — CID 10378346

IUPACethyl 1-[(E)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)/C=C/CCC1(C(=O)OCC)CCCC1
InChIInChI=1S/C15H24O4/c1-3-18-13(16)9-5-6-10-15(11-7-8-12-15)14(17)19-4-2/h5,9H,3-4,6-8,10-12H2,1-2H3/b9-5+
InChIKeyGXRHUCQVSSQINB-WEVVVXLNSA-N
MW268.35 g/mol
LogP3.01
Rot. Bonds7

About ethyl 1-[(E)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate

ethyl 1-[(E)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate (PubChem CID 10378346) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is ethyl 1-[(E)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(E)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate
PubChem CID10378346
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Nameethyl 1-[(E)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)/C=C/CCC1(C(=O)OCC)CCCC1
InChIInChI=1S/C15H24O4/c1-3-18-13(16)9-5-6-10-15(11-7-8-12-15)14(17)19-4-2/h5,9H,3-4,6-8,10-12H2,1-2H3/b9-5+
InChIKeyGXRHUCQVSSQINB-WEVVVXLNSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 1-[(E)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

1,3-Cyclohexadiene-1-carboxylic acid, 4,6,6-trimethyl-, ethyl ester
CID 68524240
4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,7-dienyl]-2H-furan-5-one
CID 10714247
(2E)-Methyl 5-(2'-methyl-1',3'-dioxocyclopent-2'-yl)-pent-2-enoate
CID 10331210
Hexanoic acid, 3,5,5-trimethyl-, undec-2-en-1-yl ester
CID 91693530
Hexanoic acid, 3,5,5-trimethyl-, dodec-2-en-1-yl ester
CID 91693542
Ethyl 9-methylspiro[4.5]deca-7,9-diene-10-carboxylate
CID 68724915
methyl 1-[(E)-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enyl]-2-oxocyclopentane-1-carboxylate
CID 10564832
methyl 1-[(E)-4-ethoxy-4-oxobut-2-enyl]-2-oxocyclopentane-1-carboxylate
CID 10777311
ethyl (E)-4-(1-acetyl-2-oxocyclopentyl)but-2-enoate
CID 10799943
Methyl 4,4-dimethylcyclopentene-1-carboxylate
CID 10975704
methyl 1-[(E)-5-methoxy-5-oxopent-3-enyl]-2-oxocyclopentane-1-carboxylate
CID 13032721
Ethyl 1-(4-acetyloxybut-2-enyl)-2-oxocyclopentane-1-carboxylate
CID 85280944

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(E)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-[(E)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate (CID 10378346) is ethyl 1-[(E)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(E)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-[(E)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate is CCOC(=O)/C=C/CCC1(C(=O)OCC)CCCC1.
What is the InChIKey of ethyl 1-[(E)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate?
The InChIKey is GXRHUCQVSSQINB-WEVVVXLNSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-18-13(16)9-5-6-10-15(11-7-8-12-15)14(17)19-4-2/h5,9H,3-4,6-8,10-12H2,1-2H3/b9-5+.
What are the key properties of ethyl 1-[(E)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate?
ethyl 1-[(E)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate has a molecular weight of 268.35 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(E)-5-ethoxy-5-oxopent-3-enyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 10378346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).