(1E,3E)-octa-1,3-diene-1,5-diol

C8H14O2 — CID 22619699

IUPAC(1E,3E)-octa-1,3-diene-1,5-diol
SMILESCCCC(O)/C=C/C=C/O
InChIInChI=1S/C8H14O2/c1-2-5-8(10)6-3-4-7-9/h3-4,6-10H,2,5H2,1H3/b6-3+,7-4+
InChIKeySQUBMASMQLKTGL-XOKGJFMYSA-N
MW142.20 g/mol
LogP1.78
Rot. Bonds4

About (1E,3E)-octa-1,3-diene-1,5-diol

(1E,3E)-octa-1,3-diene-1,5-diol (PubChem CID 22619699) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1E,3E)-octa-1,3-diene-1,5-diol.

Molecular Properties

Compound Name(1E,3E)-octa-1,3-diene-1,5-diol
PubChem CID22619699
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1E,3E)-octa-1,3-diene-1,5-diol
SMILESCCCC(O)/C=C/C=C/O
InChIInChI=1S/C8H14O2/c1-2-5-8(10)6-3-4-7-9/h3-4,6-10H,2,5H2,1H3/b6-3+,7-4+
InChIKeySQUBMASMQLKTGL-XOKGJFMYSA-N
XLogP1.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.78
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'}

Analyze (1E,3E)-octa-1,3-diene-1,5-diol 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 (1E,3E)-octa-1,3-diene-1,5-diol?
The IUPAC name of (1E,3E)-octa-1,3-diene-1,5-diol (CID 22619699) is (1E,3E)-octa-1,3-diene-1,5-diol.
What is the SMILES notation for (1E,3E)-octa-1,3-diene-1,5-diol?
The canonical SMILES for (1E,3E)-octa-1,3-diene-1,5-diol is CCCC(O)/C=C/C=C/O.
What is the InChIKey of (1E,3E)-octa-1,3-diene-1,5-diol?
The InChIKey is SQUBMASMQLKTGL-XOKGJFMYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-5-8(10)6-3-4-7-9/h3-4,6-10H,2,5H2,1H3/b6-3+,7-4+.
What are the key properties of (1E,3E)-octa-1,3-diene-1,5-diol?
(1E,3E)-octa-1,3-diene-1,5-diol has a molecular weight of 142.20 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-octa-1,3-diene-1,5-diol is sourced from PubChem (CID 22619699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).