octa-2,4-diene-1,6,7-triol

C8H14O3 — CID 162814534

IUPACocta-2,4-diene-1,6,7-triol
SMILESCC(O)C(O)C=CC=CCO
InChIInChI=1S/C8H14O3/c1-7(10)8(11)5-3-2-4-6-9/h2-5,7-11H,6H2,1H3
InChIKeyLSPIBEIDSFWFRY-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.17
Rot. Bonds4

About octa-2,4-diene-1,6,7-triol

octa-2,4-diene-1,6,7-triol (PubChem CID 162814534) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is octa-2,4-diene-1,6,7-triol.

Molecular Properties

Compound Nameocta-2,4-diene-1,6,7-triol
PubChem CID162814534
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameocta-2,4-diene-1,6,7-triol
SMILESCC(O)C(O)C=CC=CCO
InChIInChI=1S/C8H14O3/c1-7(10)8(11)5-3-2-4-6-9/h2-5,7-11H,6H2,1H3
InChIKeyLSPIBEIDSFWFRY-UHFFFAOYSA-N
XLogP-0.17
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze octa-2,4-diene-1,6,7-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 octa-2,4-diene-1,6,7-triol?
The IUPAC name of octa-2,4-diene-1,6,7-triol (CID 162814534) is octa-2,4-diene-1,6,7-triol.
What is the SMILES notation for octa-2,4-diene-1,6,7-triol?
The canonical SMILES for octa-2,4-diene-1,6,7-triol is CC(O)C(O)C=CC=CCO.
What is the InChIKey of octa-2,4-diene-1,6,7-triol?
The InChIKey is LSPIBEIDSFWFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-7(10)8(11)5-3-2-4-6-9/h2-5,7-11H,6H2,1H3.
What are the key properties of octa-2,4-diene-1,6,7-triol?
octa-2,4-diene-1,6,7-triol has a molecular weight of 158.20 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octa-2,4-diene-1,6,7-triol is sourced from PubChem (CID 162814534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).