2,4,6-tris(prop-2-enoxy)cyclohexane-1,3,5-triol

C15H24O6 — CID 15704847

IUPAC2,4,6-tris(prop-2-enoxy)cyclohexane-1,3,5-triol
SMILESC=CCOC1C(O)C(OCC=C)C(O)C(OCC=C)C1O
InChIInChI=1S/C15H24O6/c1-4-7-19-13-10(16)14(20-8-5-2)12(18)15(11(13)17)21-9-6-3/h4-6,10-18H,1-3,7-9H2
InChIKeyUHEWGVHRSBQHND-UHFFFAOYSA-N
MW300.35 g/mol
LogP-0.20
Rot. Bonds9

About 2,4,6-tris(prop-2-enoxy)cyclohexane-1,3,5-triol

2,4,6-tris(prop-2-enoxy)cyclohexane-1,3,5-triol (PubChem CID 15704847) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2,4,6-tris(prop-2-enoxy)cyclohexane-1,3,5-triol.

Molecular Properties

Compound Name2,4,6-tris(prop-2-enoxy)cyclohexane-1,3,5-triol
PubChem CID15704847
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name2,4,6-tris(prop-2-enoxy)cyclohexane-1,3,5-triol
SMILESC=CCOC1C(O)C(OCC=C)C(O)C(OCC=C)C1O
InChIInChI=1S/C15H24O6/c1-4-7-19-13-10(16)14(20-8-5-2)12(18)15(11(13)17)21-9-6-3/h4-6,10-18H,1-3,7-9H2
InChIKeyUHEWGVHRSBQHND-UHFFFAOYSA-N
XLogP-0.20
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2,4,6-tris(prop-2-enoxy)cyclohexane-1,3,5-triol?
The IUPAC name of 2,4,6-tris(prop-2-enoxy)cyclohexane-1,3,5-triol (CID 15704847) is 2,4,6-tris(prop-2-enoxy)cyclohexane-1,3,5-triol.
What is the SMILES notation for 2,4,6-tris(prop-2-enoxy)cyclohexane-1,3,5-triol?
The canonical SMILES for 2,4,6-tris(prop-2-enoxy)cyclohexane-1,3,5-triol is C=CCOC1C(O)C(OCC=C)C(O)C(OCC=C)C1O.
What is the InChIKey of 2,4,6-tris(prop-2-enoxy)cyclohexane-1,3,5-triol?
The InChIKey is UHEWGVHRSBQHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6/c1-4-7-19-13-10(16)14(20-8-5-2)12(18)15(11(13)17)21-9-6-3/h4-6,10-18H,1-3,7-9H2.
What are the key properties of 2,4,6-tris(prop-2-enoxy)cyclohexane-1,3,5-triol?
2,4,6-tris(prop-2-enoxy)cyclohexane-1,3,5-triol has a molecular weight of 300.35 g/mol, XLogP of -0.20, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(prop-2-enoxy)cyclohexane-1,3,5-triol is sourced from PubChem (CID 15704847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).