4-(hydroxymethyl)pent-1-ene-1,5-diol

C6H12O3 — CID 173098330

IUPAC4-(hydroxymethyl)pent-1-ene-1,5-diol
SMILESOC=CCC(CO)CO
InChIInChI=1S/C6H12O3/c7-3-1-2-6(4-8)5-9/h1,3,6-9H,2,4-5H2
InChIKeyAYBWJAMTBDMDQV-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.05
Rot. Bonds4

About 4-(hydroxymethyl)pent-1-ene-1,5-diol

4-(hydroxymethyl)pent-1-ene-1,5-diol (PubChem CID 173098330) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 4-(hydroxymethyl)pent-1-ene-1,5-diol.

Molecular Properties

Compound Name4-(hydroxymethyl)pent-1-ene-1,5-diol
PubChem CID173098330
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name4-(hydroxymethyl)pent-1-ene-1,5-diol
SMILESOC=CCC(CO)CO
InChIInChI=1S/C6H12O3/c7-3-1-2-6(4-8)5-9/h1,3,6-9H,2,4-5H2
InChIKeyAYBWJAMTBDMDQV-UHFFFAOYSA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)pent-1-ene-1,5-diol?
The IUPAC name of 4-(hydroxymethyl)pent-1-ene-1,5-diol (CID 173098330) is 4-(hydroxymethyl)pent-1-ene-1,5-diol.
What is the SMILES notation for 4-(hydroxymethyl)pent-1-ene-1,5-diol?
The canonical SMILES for 4-(hydroxymethyl)pent-1-ene-1,5-diol is OC=CCC(CO)CO.
What is the InChIKey of 4-(hydroxymethyl)pent-1-ene-1,5-diol?
The InChIKey is AYBWJAMTBDMDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c7-3-1-2-6(4-8)5-9/h1,3,6-9H,2,4-5H2.
What are the key properties of 4-(hydroxymethyl)pent-1-ene-1,5-diol?
4-(hydroxymethyl)pent-1-ene-1,5-diol has a molecular weight of 132.16 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)pent-1-ene-1,5-diol is sourced from PubChem (CID 173098330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).