4-methoxypent-2-ene-1,5-diol

C6H12O3 — CID 88766415

IUPAC4-methoxypent-2-ene-1,5-diol
SMILESCOC(C=CCO)CO
InChIInChI=1S/C6H12O3/c1-9-6(5-8)3-2-4-7/h2-3,6-8H,4-5H2,1H3
InChIKeyGBFUWGOSFNGFPJ-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.46
Rot. Bonds4

About 4-methoxypent-2-ene-1,5-diol

4-methoxypent-2-ene-1,5-diol (PubChem CID 88766415) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 4-methoxypent-2-ene-1,5-diol.

Molecular Properties

Compound Name4-methoxypent-2-ene-1,5-diol
PubChem CID88766415
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name4-methoxypent-2-ene-1,5-diol
SMILESCOC(C=CCO)CO
InChIInChI=1S/C6H12O3/c1-9-6(5-8)3-2-4-7/h2-3,6-8H,4-5H2,1H3
InChIKeyGBFUWGOSFNGFPJ-UHFFFAOYSA-N
XLogP-0.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
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 4-methoxypent-2-ene-1,5-diol?
The IUPAC name of 4-methoxypent-2-ene-1,5-diol (CID 88766415) is 4-methoxypent-2-ene-1,5-diol.
What is the SMILES notation for 4-methoxypent-2-ene-1,5-diol?
The canonical SMILES for 4-methoxypent-2-ene-1,5-diol is COC(C=CCO)CO.
What is the InChIKey of 4-methoxypent-2-ene-1,5-diol?
The InChIKey is GBFUWGOSFNGFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-9-6(5-8)3-2-4-7/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 4-methoxypent-2-ene-1,5-diol?
4-methoxypent-2-ene-1,5-diol has a molecular weight of 132.16 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypent-2-ene-1,5-diol is sourced from PubChem (CID 88766415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).