hexa-1,5-diene-3,4-diol

C6H10O2 — CID 14042

IUPAChexa-1,5-diene-3,4-diol
SMILESC=CC(O)C(O)C=C
InChIInChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2
InChIKeyKUQWZSZYIQGTHT-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.08
Rot. Bonds3

About hexa-1,5-diene-3,4-diol

hexa-1,5-diene-3,4-diol (PubChem CID 14042) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is hexa-1,5-diene-3,4-diol.

Molecular Properties

Compound Namehexa-1,5-diene-3,4-diol
PubChem CID14042
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Namehexa-1,5-diene-3,4-diol
SMILESC=CC(O)C(O)C=C
InChIInChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2
InChIKeyKUQWZSZYIQGTHT-UHFFFAOYSA-N
XLogP0.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hexa-1,5-diene-3,4-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 hexa-1,5-diene-3,4-diol?
The IUPAC name of hexa-1,5-diene-3,4-diol (CID 14042) is hexa-1,5-diene-3,4-diol.
What is the SMILES notation for hexa-1,5-diene-3,4-diol?
The canonical SMILES for hexa-1,5-diene-3,4-diol is C=CC(O)C(O)C=C.
What is the InChIKey of hexa-1,5-diene-3,4-diol?
The InChIKey is KUQWZSZYIQGTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2.
What are the key properties of hexa-1,5-diene-3,4-diol?
hexa-1,5-diene-3,4-diol has a molecular weight of 114.14 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-1,5-diene-3,4-diol is sourced from PubChem (CID 14042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).