(1E,4E)-hexa-1,4-diene-1,6-diol

C6H10O2 — CID 21102507

IUPAC(1E,4E)-hexa-1,4-diene-1,6-diol
SMILESO/C=C/C/C=C/CO
InChIInChI=1S/C6H10O2/c7-5-3-1-2-4-6-8/h1,3-4,6-8H,2,5H2/b3-1+,6-4+
InChIKeyXNWXBBFDWRNSMJ-ASPVKUGASA-N
MW114.14 g/mol
LogP1.00
Rot. Bonds3

About (1E,4E)-hexa-1,4-diene-1,6-diol

(1E,4E)-hexa-1,4-diene-1,6-diol (PubChem CID 21102507) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (1E,4E)-hexa-1,4-diene-1,6-diol.

Molecular Properties

Compound Name(1E,4E)-hexa-1,4-diene-1,6-diol
PubChem CID21102507
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(1E,4E)-hexa-1,4-diene-1,6-diol
SMILESO/C=C/C/C=C/CO
InChIInChI=1S/C6H10O2/c7-5-3-1-2-4-6-8/h1,3-4,6-8H,2,5H2/b3-1+,6-4+
InChIKeyXNWXBBFDWRNSMJ-ASPVKUGASA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,4E)-hexa-1,4-diene-1,6-diol?
The IUPAC name of (1E,4E)-hexa-1,4-diene-1,6-diol (CID 21102507) is (1E,4E)-hexa-1,4-diene-1,6-diol.
What is the SMILES notation for (1E,4E)-hexa-1,4-diene-1,6-diol?
The canonical SMILES for (1E,4E)-hexa-1,4-diene-1,6-diol is O/C=C/C/C=C/CO.
What is the InChIKey of (1E,4E)-hexa-1,4-diene-1,6-diol?
The InChIKey is XNWXBBFDWRNSMJ-ASPVKUGASA-N. The full InChI is InChI=1S/C6H10O2/c7-5-3-1-2-4-6-8/h1,3-4,6-8H,2,5H2/b3-1+,6-4+.
What are the key properties of (1E,4E)-hexa-1,4-diene-1,6-diol?
(1E,4E)-hexa-1,4-diene-1,6-diol has a molecular weight of 114.14 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-hexa-1,4-diene-1,6-diol is sourced from PubChem (CID 21102507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).