(2E,5E)-octa-2,5-diene

C8H14 — CID 5463390

IUPAC(2E,5E)-octa-2,5-diene
SMILESC/C=C/C/C=C/CC
InChIInChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,5-6,8H,4,7H2,1-2H3/b5-3+,8-6+
InChIKeyGDDAJHJRAKOILH-QFXXITGJSA-N
MW110.20 g/mol
LogP2.92
Rot. Bonds3

About (2E,5E)-octa-2,5-diene

(2E,5E)-octa-2,5-diene (PubChem CID 5463390) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is (2E,5E)-octa-2,5-diene.

Molecular Properties

Compound Name(2E,5E)-octa-2,5-diene
PubChem CID5463390
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name(2E,5E)-octa-2,5-diene
SMILESC/C=C/C/C=C/CC
InChIInChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,5-6,8H,4,7H2,1-2H3/b5-3+,8-6+
InChIKeyGDDAJHJRAKOILH-QFXXITGJSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (2E,5E)-octa-2,5-diene?
The IUPAC name of (2E,5E)-octa-2,5-diene (CID 5463390) is (2E,5E)-octa-2,5-diene.
What is the SMILES notation for (2E,5E)-octa-2,5-diene?
The canonical SMILES for (2E,5E)-octa-2,5-diene is C/C=C/C/C=C/CC.
What is the InChIKey of (2E,5E)-octa-2,5-diene?
The InChIKey is GDDAJHJRAKOILH-QFXXITGJSA-N. The full InChI is InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,5-6,8H,4,7H2,1-2H3/b5-3+,8-6+.
What are the key properties of (2E,5E)-octa-2,5-diene?
(2E,5E)-octa-2,5-diene has a molecular weight of 110.20 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-octa-2,5-diene is sourced from PubChem (CID 5463390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).