3-(hydroxymethyl)pent-2-ene-1,5-diol

C6H12O3 — CID 54163262

IUPAC3-(hydroxymethyl)pent-2-ene-1,5-diol
SMILESOCC=C(CO)CCO
InChIInChI=1S/C6H12O3/c7-3-1-6(5-9)2-4-8/h1,7-9H,2-5H2
InChIKeyOPWXOSDGXNFVNM-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.72
Rot. Bonds4

About 3-(hydroxymethyl)pent-2-ene-1,5-diol

3-(hydroxymethyl)pent-2-ene-1,5-diol (PubChem CID 54163262) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-(hydroxymethyl)pent-2-ene-1,5-diol.

Molecular Properties

Compound Name3-(hydroxymethyl)pent-2-ene-1,5-diol
PubChem CID54163262
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name3-(hydroxymethyl)pent-2-ene-1,5-diol
SMILESOCC=C(CO)CCO
InChIInChI=1S/C6H12O3/c7-3-1-6(5-9)2-4-8/h1,7-9H,2-5H2
InChIKeyOPWXOSDGXNFVNM-UHFFFAOYSA-N
XLogP-0.72
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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 3-(hydroxymethyl)pent-2-ene-1,5-diol?
The IUPAC name of 3-(hydroxymethyl)pent-2-ene-1,5-diol (CID 54163262) is 3-(hydroxymethyl)pent-2-ene-1,5-diol.
What is the SMILES notation for 3-(hydroxymethyl)pent-2-ene-1,5-diol?
The canonical SMILES for 3-(hydroxymethyl)pent-2-ene-1,5-diol is OCC=C(CO)CCO.
What is the InChIKey of 3-(hydroxymethyl)pent-2-ene-1,5-diol?
The InChIKey is OPWXOSDGXNFVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c7-3-1-6(5-9)2-4-8/h1,7-9H,2-5H2.
What are the key properties of 3-(hydroxymethyl)pent-2-ene-1,5-diol?
3-(hydroxymethyl)pent-2-ene-1,5-diol has a molecular weight of 132.16 g/mol, XLogP of -0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)pent-2-ene-1,5-diol is sourced from PubChem (CID 54163262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).