1,3,5-tris(prop-2-enoxy)cyclohexane

C15H24O3 — CID 11572390

IUPAC1,3,5-tris(prop-2-enoxy)cyclohexane
SMILESC=CCOC1CC(OCC=C)CC(OCC=C)C1
InChIInChI=1S/C15H24O3/c1-4-7-16-13-10-14(17-8-5-2)12-15(11-13)18-9-6-3/h4-6,13-15H,1-3,7-12H2
InChIKeyVZIMPTZPVXYORM-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.88
Rot. Bonds9

About 1,3,5-tris(prop-2-enoxy)cyclohexane

1,3,5-tris(prop-2-enoxy)cyclohexane (PubChem CID 11572390) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1,3,5-tris(prop-2-enoxy)cyclohexane.

Molecular Properties

Compound Name1,3,5-tris(prop-2-enoxy)cyclohexane
PubChem CID11572390
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1,3,5-tris(prop-2-enoxy)cyclohexane
SMILESC=CCOC1CC(OCC=C)CC(OCC=C)C1
InChIInChI=1S/C15H24O3/c1-4-7-16-13-10-14(17-8-5-2)12-15(11-13)18-9-6-3/h4-6,13-15H,1-3,7-12H2
InChIKeyVZIMPTZPVXYORM-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(prop-2-enoxy)cyclohexane?
The IUPAC name of 1,3,5-tris(prop-2-enoxy)cyclohexane (CID 11572390) is 1,3,5-tris(prop-2-enoxy)cyclohexane.
What is the SMILES notation for 1,3,5-tris(prop-2-enoxy)cyclohexane?
The canonical SMILES for 1,3,5-tris(prop-2-enoxy)cyclohexane is C=CCOC1CC(OCC=C)CC(OCC=C)C1.
What is the InChIKey of 1,3,5-tris(prop-2-enoxy)cyclohexane?
The InChIKey is VZIMPTZPVXYORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-4-7-16-13-10-14(17-8-5-2)12-15(11-13)18-9-6-3/h4-6,13-15H,1-3,7-12H2.
What are the key properties of 1,3,5-tris(prop-2-enoxy)cyclohexane?
1,3,5-tris(prop-2-enoxy)cyclohexane has a molecular weight of 252.35 g/mol, XLogP of 2.88, 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(prop-2-enoxy)cyclohexane is sourced from PubChem (CID 11572390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).