(E)-oct-5-ene-1,2,8-triol

C8H16O3 — CID 20554578

IUPAC(E)-oct-5-ene-1,2,8-triol
SMILESOCC/C=C/CCC(O)CO
InChIInChI=1S/C8H16O3/c9-6-4-2-1-3-5-8(11)7-10/h1-2,8-11H,3-7H2/b2-1+
InChIKeyYJYVGZNSBDSYPN-OWOJBTEDSA-N
MW160.21 g/mol
LogP0.06
Rot. Bonds6

About (E)-oct-5-ene-1,2,8-triol

(E)-oct-5-ene-1,2,8-triol (PubChem CID 20554578) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (E)-oct-5-ene-1,2,8-triol.

Molecular Properties

Compound Name(E)-oct-5-ene-1,2,8-triol
PubChem CID20554578
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(E)-oct-5-ene-1,2,8-triol
SMILESOCC/C=C/CCC(O)CO
InChIInChI=1S/C8H16O3/c9-6-4-2-1-3-5-8(11)7-10/h1-2,8-11H,3-7H2/b2-1+
InChIKeyYJYVGZNSBDSYPN-OWOJBTEDSA-N
XLogP0.06
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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'}

Analyze (E)-oct-5-ene-1,2,8-triol 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 (E)-oct-5-ene-1,2,8-triol?
The IUPAC name of (E)-oct-5-ene-1,2,8-triol (CID 20554578) is (E)-oct-5-ene-1,2,8-triol.
What is the SMILES notation for (E)-oct-5-ene-1,2,8-triol?
The canonical SMILES for (E)-oct-5-ene-1,2,8-triol is OCC/C=C/CCC(O)CO.
What is the InChIKey of (E)-oct-5-ene-1,2,8-triol?
The InChIKey is YJYVGZNSBDSYPN-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H16O3/c9-6-4-2-1-3-5-8(11)7-10/h1-2,8-11H,3-7H2/b2-1+.
What are the key properties of (E)-oct-5-ene-1,2,8-triol?
(E)-oct-5-ene-1,2,8-triol has a molecular weight of 160.21 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-oct-5-ene-1,2,8-triol is sourced from PubChem (CID 20554578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).