5-(5-buta-1,3-dienyl-4-hydroxyoxolan-3-yl)pent-4-ene-2,3-diol

C13H20O4 — CID 162962656

IUPAC5-(5-buta-1,3-dienyl-4-hydroxyoxolan-3-yl)pent-4-ene-2,3-diol
SMILESC=CC=CC1OCC(C=CC(O)C(C)O)C1O
InChIInChI=1S/C13H20O4/c1-3-4-5-12-13(16)10(8-17-12)6-7-11(15)9(2)14/h3-7,9-16H,1,8H2,2H3
InChIKeyGRRMTYVEANIPCO-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.40
Rot. Bonds5

About 5-(5-buta-1,3-dienyl-4-hydroxyoxolan-3-yl)pent-4-ene-2,3-diol

5-(5-buta-1,3-dienyl-4-hydroxyoxolan-3-yl)pent-4-ene-2,3-diol (PubChem CID 162962656) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 5-(5-buta-1,3-dienyl-4-hydroxyoxolan-3-yl)pent-4-ene-2,3-diol.

Molecular Properties

Compound Name5-(5-buta-1,3-dienyl-4-hydroxyoxolan-3-yl)pent-4-ene-2,3-diol
PubChem CID162962656
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name5-(5-buta-1,3-dienyl-4-hydroxyoxolan-3-yl)pent-4-ene-2,3-diol
SMILESC=CC=CC1OCC(C=CC(O)C(C)O)C1O
InChIInChI=1S/C13H20O4/c1-3-4-5-12-13(16)10(8-17-12)6-7-11(15)9(2)14/h3-7,9-16H,1,8H2,2H3
InChIKeyGRRMTYVEANIPCO-UHFFFAOYSA-N
XLogP0.40
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-(5-buta-1,3-dienyl-4-hydroxyoxolan-3-yl)pent-4-ene-2,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-buta-1,3-dienyl-4-hydroxyoxolan-3-yl)pent-4-ene-2,3-diol?
The IUPAC name of 5-(5-buta-1,3-dienyl-4-hydroxyoxolan-3-yl)pent-4-ene-2,3-diol (CID 162962656) is 5-(5-buta-1,3-dienyl-4-hydroxyoxolan-3-yl)pent-4-ene-2,3-diol.
What is the SMILES notation for 5-(5-buta-1,3-dienyl-4-hydroxyoxolan-3-yl)pent-4-ene-2,3-diol?
The canonical SMILES for 5-(5-buta-1,3-dienyl-4-hydroxyoxolan-3-yl)pent-4-ene-2,3-diol is C=CC=CC1OCC(C=CC(O)C(C)O)C1O.
What is the InChIKey of 5-(5-buta-1,3-dienyl-4-hydroxyoxolan-3-yl)pent-4-ene-2,3-diol?
The InChIKey is GRRMTYVEANIPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-3-4-5-12-13(16)10(8-17-12)6-7-11(15)9(2)14/h3-7,9-16H,1,8H2,2H3.
What are the key properties of 5-(5-buta-1,3-dienyl-4-hydroxyoxolan-3-yl)pent-4-ene-2,3-diol?
5-(5-buta-1,3-dienyl-4-hydroxyoxolan-3-yl)pent-4-ene-2,3-diol has a molecular weight of 240.30 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-buta-1,3-dienyl-4-hydroxyoxolan-3-yl)pent-4-ene-2,3-diol is sourced from PubChem (CID 162962656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).