4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid

C11H16O4 — CID 66952596

IUPAC4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
SMILESC=CCOC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C11H16O4/c1-2-7-15-11(14)9-5-3-8(4-6-9)10(12)13/h2,8-9H,1,3-7H2,(H,12,13)
InChIKeyLUBXQQZBOLYZAD-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.61
Rot. Bonds4

About 4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid

4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid (PubChem CID 66952596) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
PubChem CID66952596
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
SMILESC=CCOC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C11H16O4/c1-2-7-15-11(14)9-5-3-8(4-6-9)10(12)13/h2,8-9H,1,3-7H2,(H,12,13)
InChIKeyLUBXQQZBOLYZAD-UHFFFAOYSA-N
XLogP1.61
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-prop-2-enoxycarbonylcyclohexane-1-carboxylic 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 4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid (CID 66952596) is 4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid is C=CCOC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid?
The InChIKey is LUBXQQZBOLYZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-2-7-15-11(14)9-5-3-8(4-6-9)10(12)13/h2,8-9H,1,3-7H2,(H,12,13).
What are the key properties of 4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid?
4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid has a molecular weight of 212.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 66952596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).