(3E,5E)-octa-1,3,5,7-tetraene

C8H10 — CID 5463164

IUPAC(3E,5E)-octa-1,3,5,7-tetraene
SMILESC=C/C=C/C=C/C=C
InChIInChI=1S/C8H10/c1-3-5-7-8-6-4-2/h3-8H,1-2H2/b7-5+,8-6+
InChIKeyVXQUABLSXKFKLO-KQQUZDAGSA-N
MW106.17 g/mol
LogP2.47
Rot. Bonds3

About (3E,5E)-octa-1,3,5,7-tetraene

(3E,5E)-octa-1,3,5,7-tetraene (PubChem CID 5463164) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is (3E,5E)-octa-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3E,5E)-octa-1,3,5,7-tetraene
PubChem CID5463164
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name(3E,5E)-octa-1,3,5,7-tetraene
SMILESC=C/C=C/C=C/C=C
InChIInChI=1S/C8H10/c1-3-5-7-8-6-4-2/h3-8H,1-2H2/b7-5+,8-6+
InChIKeyVXQUABLSXKFKLO-KQQUZDAGSA-N
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-octa-1,3,5,7-tetraene?
The IUPAC name of (3E,5E)-octa-1,3,5,7-tetraene (CID 5463164) is (3E,5E)-octa-1,3,5,7-tetraene.
What is the SMILES notation for (3E,5E)-octa-1,3,5,7-tetraene?
The canonical SMILES for (3E,5E)-octa-1,3,5,7-tetraene is C=C/C=C/C=C/C=C.
What is the InChIKey of (3E,5E)-octa-1,3,5,7-tetraene?
The InChIKey is VXQUABLSXKFKLO-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h3-8H,1-2H2/b7-5+,8-6+.
What are the key properties of (3E,5E)-octa-1,3,5,7-tetraene?
(3E,5E)-octa-1,3,5,7-tetraene has a molecular weight of 106.17 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-octa-1,3,5,7-tetraene is sourced from PubChem (CID 5463164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).