ethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate

C14H20O4 — CID 134863248

IUPACethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate
SMILESCCOC(=O)CCC/C=C\CC1=CC(O)CC1=O
InChIInChI=1S/C14H20O4/c1-2-18-14(17)8-6-4-3-5-7-11-9-12(15)10-13(11)16/h3,5,9,12,15H,2,4,6-8,10H2,1H3/b5-3-
InChIKeyMITQDDAENGLDQH-HYXAFXHYSA-N
MW252.31 g/mol
LogP1.93
Rot. Bonds7

About ethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate

ethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate (PubChem CID 134863248) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate.

Molecular Properties

Compound Nameethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate
PubChem CID134863248
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Nameethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate
SMILESCCOC(=O)CCC/C=C\CC1=CC(O)CC1=O
InChIInChI=1S/C14H20O4/c1-2-18-14(17)8-6-4-3-5-7-11-9-12(15)10-13(11)16/h3,5,9,12,15H,2,4,6-8,10H2,1H3/b5-3-
InChIKeyMITQDDAENGLDQH-HYXAFXHYSA-N
XLogP1.93
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate 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

[4-(carbamoylamino)phenyl] 7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate
CID 57289547
ethyl 7-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate
CID 54371984
methyl 7-(5-oxo-3-triethylsilyloxycyclopenten-1-yl)hept-5-enoate
CID 70700519
methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]hept-4-enoate
CID 57100467
ethyl (5Z,8Z,11E,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 169439998
ethyl (5Z,8E,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 172866485
4-hydroxy-2-[6-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]hex-2-enyl]cyclopent-2-en-1-one
CID 57011139
ethyl (Z)-7-hydroxyhept-5-enoate
CID 10797277
[(Z)-6-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]hex-4-enyl] trimethylsilylformate
CID 70573057
ethyl (Z)-9-phenylnon-7-enoate
CID 102272083
ethyl (E)-9-phenylnon-7-enoate
CID 11230728
ethyl (6E,9Z,12E)-octadeca-6,9,12-trienoate
CID 124933434

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate?
The IUPAC name of ethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate (CID 134863248) is ethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate.
What is the SMILES notation for ethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate?
The canonical SMILES for ethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate is CCOC(=O)CCC/C=C\CC1=CC(O)CC1=O.
What is the InChIKey of ethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate?
The InChIKey is MITQDDAENGLDQH-HYXAFXHYSA-N. The full InChI is InChI=1S/C14H20O4/c1-2-18-14(17)8-6-4-3-5-7-11-9-12(15)10-13(11)16/h3,5,9,12,15H,2,4,6-8,10H2,1H3/b5-3-.
What are the key properties of ethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate?
ethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate has a molecular weight of 252.31 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-7-(3-hydroxy-5-oxocyclopenten-1-yl)hept-5-enoate is sourced from PubChem (CID 134863248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).