hex-4-ene-1,2,6-triol

C6H12O3 — CID 140660957

IUPAChex-4-ene-1,2,6-triol
SMILESOCC=CCC(O)CO
InChIInChI=1S/C6H12O3/c7-4-2-1-3-6(9)5-8/h1-2,6-9H,3-5H2
InChIKeyQPHRZZUOFVIXNJ-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.72
Rot. Bonds4

About hex-4-ene-1,2,6-triol

hex-4-ene-1,2,6-triol (PubChem CID 140660957) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is hex-4-ene-1,2,6-triol.

Molecular Properties

Compound Namehex-4-ene-1,2,6-triol
PubChem CID140660957
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namehex-4-ene-1,2,6-triol
SMILESOCC=CCC(O)CO
InChIInChI=1S/C6H12O3/c7-4-2-1-3-6(9)5-8/h1-2,6-9H,3-5H2
InChIKeyQPHRZZUOFVIXNJ-UHFFFAOYSA-N
XLogP-0.72
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
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 hex-4-ene-1,2,6-triol?
The IUPAC name of hex-4-ene-1,2,6-triol (CID 140660957) is hex-4-ene-1,2,6-triol.
What is the SMILES notation for hex-4-ene-1,2,6-triol?
The canonical SMILES for hex-4-ene-1,2,6-triol is OCC=CCC(O)CO.
What is the InChIKey of hex-4-ene-1,2,6-triol?
The InChIKey is QPHRZZUOFVIXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c7-4-2-1-3-6(9)5-8/h1-2,6-9H,3-5H2.
What are the key properties of hex-4-ene-1,2,6-triol?
hex-4-ene-1,2,6-triol has a molecular weight of 132.16 g/mol, XLogP of -0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hex-4-ene-1,2,6-triol is sourced from PubChem (CID 140660957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).