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

C11H16O4 — CID 15703411

IUPAC2-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
SMILESC=CCOC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C11H16O4/c1-2-7-15-11(14)9-6-4-3-5-8(9)10(12)13/h2,8-9H,1,3-7H2,(H,12,13)
InChIKeyPNWWQQIIQDKRQA-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.61
Rot. Bonds4

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

2-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid (PubChem CID 15703411) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
PubChem CID15703411
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
SMILESC=CCOC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C11H16O4/c1-2-7-15-11(14)9-6-4-3-5-8(9)10(12)13/h2,8-9H,1,3-7H2,(H,12,13)
InChIKeyPNWWQQIIQDKRQA-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 2-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 2-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid (CID 15703411) is 2-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid is C=CCOC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid?
The InChIKey is PNWWQQIIQDKRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-2-7-15-11(14)9-6-4-3-5-8(9)10(12)13/h2,8-9H,1,3-7H2,(H,12,13).
What are the key properties of 2-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid?
2-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 2-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 15703411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).