oct-4-ene-1,2,3-triol

C8H16O3 — CID 85436154

IUPACoct-4-ene-1,2,3-triol
SMILESCCCC=CC(O)C(O)CO
InChIInChI=1S/C8H16O3/c1-2-3-4-5-7(10)8(11)6-9/h4-5,7-11H,2-3,6H2,1H3
InChIKeyBFHOBKCLIDIEBB-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.06
Rot. Bonds5

About oct-4-ene-1,2,3-triol

oct-4-ene-1,2,3-triol (PubChem CID 85436154) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is oct-4-ene-1,2,3-triol.

Molecular Properties

Compound Nameoct-4-ene-1,2,3-triol
PubChem CID85436154
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameoct-4-ene-1,2,3-triol
SMILESCCCC=CC(O)C(O)CO
InChIInChI=1S/C8H16O3/c1-2-3-4-5-7(10)8(11)6-9/h4-5,7-11H,2-3,6H2,1H3
InChIKeyBFHOBKCLIDIEBB-UHFFFAOYSA-N
XLogP0.06
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.06
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 oct-4-ene-1,2,3-triol?
The IUPAC name of oct-4-ene-1,2,3-triol (CID 85436154) is oct-4-ene-1,2,3-triol.
What is the SMILES notation for oct-4-ene-1,2,3-triol?
The canonical SMILES for oct-4-ene-1,2,3-triol is CCCC=CC(O)C(O)CO.
What is the InChIKey of oct-4-ene-1,2,3-triol?
The InChIKey is BFHOBKCLIDIEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-2-3-4-5-7(10)8(11)6-9/h4-5,7-11H,2-3,6H2,1H3.
What are the key properties of oct-4-ene-1,2,3-triol?
oct-4-ene-1,2,3-triol has a molecular weight of 160.21 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oct-4-ene-1,2,3-triol is sourced from PubChem (CID 85436154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).