2-prop-1-en-2-ylpropane-1,2,3-triol

C6H12O3 — CID 11389408

IUPAC2-prop-1-en-2-ylpropane-1,2,3-triol
SMILESC=C(C)C(O)(CO)CO
InChIInChI=1S/C6H12O3/c1-5(2)6(9,3-7)4-8/h7-9H,1,3-4H2,2H3
InChIKeySXRCWXCHXBRCHR-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.72
Rot. Bonds3

About 2-prop-1-en-2-ylpropane-1,2,3-triol

2-prop-1-en-2-ylpropane-1,2,3-triol (PubChem CID 11389408) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-prop-1-en-2-ylpropane-1,2,3-triol.

Molecular Properties

Compound Name2-prop-1-en-2-ylpropane-1,2,3-triol
PubChem CID11389408
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-prop-1-en-2-ylpropane-1,2,3-triol
SMILESC=C(C)C(O)(CO)CO
InChIInChI=1S/C6H12O3/c1-5(2)6(9,3-7)4-8/h7-9H,1,3-4H2,2H3
InChIKeySXRCWXCHXBRCHR-UHFFFAOYSA-N
XLogP-0.72
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
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 2-prop-1-en-2-ylpropane-1,2,3-triol?
The IUPAC name of 2-prop-1-en-2-ylpropane-1,2,3-triol (CID 11389408) is 2-prop-1-en-2-ylpropane-1,2,3-triol.
What is the SMILES notation for 2-prop-1-en-2-ylpropane-1,2,3-triol?
The canonical SMILES for 2-prop-1-en-2-ylpropane-1,2,3-triol is C=C(C)C(O)(CO)CO.
What is the InChIKey of 2-prop-1-en-2-ylpropane-1,2,3-triol?
The InChIKey is SXRCWXCHXBRCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-5(2)6(9,3-7)4-8/h7-9H,1,3-4H2,2H3.
What are the key properties of 2-prop-1-en-2-ylpropane-1,2,3-triol?
2-prop-1-en-2-ylpropane-1,2,3-triol has a molecular weight of 132.16 g/mol, XLogP of -0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-ylpropane-1,2,3-triol is sourced from PubChem (CID 11389408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).