1,3,5-tris(ethenoxymethyl)cyclohexane

C15H24O3 — CID 71344256

IUPAC1,3,5-tris(ethenoxymethyl)cyclohexane
SMILESC=COCC1CC(COC=C)CC(COC=C)C1
InChIInChI=1S/C15H24O3/c1-4-16-10-13-7-14(11-17-5-2)9-15(8-13)12-18-6-3/h4-6,13-15H,1-3,7-12H2
InChIKeyXBQBRZADLRPNRZ-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.50
Rot. Bonds9

About 1,3,5-tris(ethenoxymethyl)cyclohexane

1,3,5-tris(ethenoxymethyl)cyclohexane (PubChem CID 71344256) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1,3,5-tris(ethenoxymethyl)cyclohexane.

Molecular Properties

Compound Name1,3,5-tris(ethenoxymethyl)cyclohexane
PubChem CID71344256
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1,3,5-tris(ethenoxymethyl)cyclohexane
SMILESC=COCC1CC(COC=C)CC(COC=C)C1
InChIInChI=1S/C15H24O3/c1-4-16-10-13-7-14(11-17-5-2)9-15(8-13)12-18-6-3/h4-6,13-15H,1-3,7-12H2
InChIKeyXBQBRZADLRPNRZ-UHFFFAOYSA-N
XLogP3.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1,3,5-tris(ethenoxymethyl)cyclohexane 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 1,3,5-tris(ethenoxymethyl)cyclohexane?
The IUPAC name of 1,3,5-tris(ethenoxymethyl)cyclohexane (CID 71344256) is 1,3,5-tris(ethenoxymethyl)cyclohexane.
What is the SMILES notation for 1,3,5-tris(ethenoxymethyl)cyclohexane?
The canonical SMILES for 1,3,5-tris(ethenoxymethyl)cyclohexane is C=COCC1CC(COC=C)CC(COC=C)C1.
What is the InChIKey of 1,3,5-tris(ethenoxymethyl)cyclohexane?
The InChIKey is XBQBRZADLRPNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-4-16-10-13-7-14(11-17-5-2)9-15(8-13)12-18-6-3/h4-6,13-15H,1-3,7-12H2.
What are the key properties of 1,3,5-tris(ethenoxymethyl)cyclohexane?
1,3,5-tris(ethenoxymethyl)cyclohexane has a molecular weight of 252.35 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(ethenoxymethyl)cyclohexane is sourced from PubChem (CID 71344256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).