(Z)-4-(cyclohexen-1-yloxy)-4-oxobut-2-enoic acid

C10H12O4 — CID 67290199

IUPAC(Z)-4-(cyclohexen-1-yloxy)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)OC1=CCCCC1
InChIInChI=1S/C10H12O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h4,6-7H,1-3,5H2,(H,11,12)/b7-6-
InChIKeyOSVQYQRRAKOBMY-SREVYHEPSA-N
MW196.20 g/mol
LogP1.63
Rot. Bonds3

About (Z)-4-(cyclohexen-1-yloxy)-4-oxobut-2-enoic acid

(Z)-4-(cyclohexen-1-yloxy)-4-oxobut-2-enoic acid (PubChem CID 67290199) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (Z)-4-(cyclohexen-1-yloxy)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(cyclohexen-1-yloxy)-4-oxobut-2-enoic acid
PubChem CID67290199
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(Z)-4-(cyclohexen-1-yloxy)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)OC1=CCCCC1
InChIInChI=1S/C10H12O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h4,6-7H,1-3,5H2,(H,11,12)/b7-6-
InChIKeyOSVQYQRRAKOBMY-SREVYHEPSA-N
XLogP1.63
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-4-(cyclohexen-1-yloxy)-4-oxobut-2-enoic acid 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 (Z)-4-(cyclohexen-1-yloxy)-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-(cyclohexen-1-yloxy)-4-oxobut-2-enoic acid (CID 67290199) is (Z)-4-(cyclohexen-1-yloxy)-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-(cyclohexen-1-yloxy)-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-(cyclohexen-1-yloxy)-4-oxobut-2-enoic acid is O=C(O)/C=C\C(=O)OC1=CCCCC1.
What is the InChIKey of (Z)-4-(cyclohexen-1-yloxy)-4-oxobut-2-enoic acid?
The InChIKey is OSVQYQRRAKOBMY-SREVYHEPSA-N. The full InChI is InChI=1S/C10H12O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h4,6-7H,1-3,5H2,(H,11,12)/b7-6-.
What are the key properties of (Z)-4-(cyclohexen-1-yloxy)-4-oxobut-2-enoic acid?
(Z)-4-(cyclohexen-1-yloxy)-4-oxobut-2-enoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(cyclohexen-1-yloxy)-4-oxobut-2-enoic acid is sourced from PubChem (CID 67290199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).