(4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate

C13H20O3 — CID 126802670

IUPAC(4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate
SMILESCOC1CCC(OC(=O)C=CC2CC2)CC1
InChIInChI=1S/C13H20O3/c1-15-11-5-7-12(8-6-11)16-13(14)9-4-10-2-3-10/h4,9-12H,2-3,5-8H2,1H3
InChIKeyRBBTYCPXUHBUOT-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.45
Rot. Bonds4

About (4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate

(4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate (PubChem CID 126802670) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate.

Molecular Properties

Compound Name(4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate
PubChem CID126802670
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate
SMILESCOC1CCC(OC(=O)C=CC2CC2)CC1
InChIInChI=1S/C13H20O3/c1-15-11-5-7-12(8-6-11)16-13(14)9-4-10-2-3-10/h4,9-12H,2-3,5-8H2,1H3
InChIKeyRBBTYCPXUHBUOT-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate 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-methoxycyclohexyl) 3-cyclopropylprop-2-enoate?
The IUPAC name of (4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate (CID 126802670) is (4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate.
What is the SMILES notation for (4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate?
The canonical SMILES for (4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate is COC1CCC(OC(=O)C=CC2CC2)CC1.
What is the InChIKey of (4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate?
The InChIKey is RBBTYCPXUHBUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-15-11-5-7-12(8-6-11)16-13(14)9-4-10-2-3-10/h4,9-12H,2-3,5-8H2,1H3.
What are the key properties of (4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate?
(4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate has a molecular weight of 224.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate is sourced from PubChem (CID 126802670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).