2-(hydroxymethyl)-2-prop-2-enylpropane-1,3-diol

C7H14O3 — CID 12930541

IUPAC2-(hydroxymethyl)-2-prop-2-enylpropane-1,3-diol
SMILESC=CCC(CO)(CO)CO
InChIInChI=1S/C7H14O3/c1-2-3-7(4-8,5-9)6-10/h2,8-10H,1,3-6H2
InChIKeyYQLCVEJKGPTJAB-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.47
Rot. Bonds5

About 2-(hydroxymethyl)-2-prop-2-enylpropane-1,3-diol

2-(hydroxymethyl)-2-prop-2-enylpropane-1,3-diol (PubChem CID 12930541) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-prop-2-enylpropane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-prop-2-enylpropane-1,3-diol
PubChem CID12930541
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-(hydroxymethyl)-2-prop-2-enylpropane-1,3-diol
SMILESC=CCC(CO)(CO)CO
InChIInChI=1S/C7H14O3/c1-2-3-7(4-8,5-9)6-10/h2,8-10H,1,3-6H2
InChIKeyYQLCVEJKGPTJAB-UHFFFAOYSA-N
XLogP-0.47
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.47
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-(hydroxymethyl)-2-prop-2-enylpropane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-prop-2-enylpropane-1,3-diol (CID 12930541) is 2-(hydroxymethyl)-2-prop-2-enylpropane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-prop-2-enylpropane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-prop-2-enylpropane-1,3-diol is C=CCC(CO)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-prop-2-enylpropane-1,3-diol?
The InChIKey is YQLCVEJKGPTJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-2-3-7(4-8,5-9)6-10/h2,8-10H,1,3-6H2.
What are the key properties of 2-(hydroxymethyl)-2-prop-2-enylpropane-1,3-diol?
2-(hydroxymethyl)-2-prop-2-enylpropane-1,3-diol has a molecular weight of 146.19 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-prop-2-enylpropane-1,3-diol is sourced from PubChem (CID 12930541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).