hexa-2,4-diene-2,5-diol

C6H10O2 — CID 146021273

IUPAChexa-2,4-diene-2,5-diol
SMILESCC(O)=CC=C(C)O
InChIInChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4,7-8H,1-2H3
InChIKeyUNEZVRQNBQSXHA-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.91
Rot. Bonds1

About hexa-2,4-diene-2,5-diol

hexa-2,4-diene-2,5-diol (PubChem CID 146021273) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is hexa-2,4-diene-2,5-diol.

Molecular Properties

Compound Namehexa-2,4-diene-2,5-diol
PubChem CID146021273
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Namehexa-2,4-diene-2,5-diol
SMILESCC(O)=CC=C(C)O
InChIInChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4,7-8H,1-2H3
InChIKeyUNEZVRQNBQSXHA-UHFFFAOYSA-N
XLogP1.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexa-2,4-diene-2,5-diol?
The IUPAC name of hexa-2,4-diene-2,5-diol (CID 146021273) is hexa-2,4-diene-2,5-diol.
What is the SMILES notation for hexa-2,4-diene-2,5-diol?
The canonical SMILES for hexa-2,4-diene-2,5-diol is CC(O)=CC=C(C)O.
What is the InChIKey of hexa-2,4-diene-2,5-diol?
The InChIKey is UNEZVRQNBQSXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4,7-8H,1-2H3.
What are the key properties of hexa-2,4-diene-2,5-diol?
hexa-2,4-diene-2,5-diol has a molecular weight of 114.14 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-2,4-diene-2,5-diol is sourced from PubChem (CID 146021273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).