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

C8H14 — CID 5352266

IUPAC(3E,5E)-octa-3,5-diene
SMILESCC/C=C/C=C/CC
InChIInChI=1S/C8H14/c1-3-5-7-8-6-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyHWXQYUCHSICMAS-KQQUZDAGSA-N
MW110.20 g/mol
LogP2.92
Rot. Bonds3

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

(3E,5E)-octa-3,5-diene (PubChem CID 5352266) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is (3E,5E)-octa-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-octa-3,5-diene
PubChem CID5352266
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name(3E,5E)-octa-3,5-diene
SMILESCC/C=C/C=C/CC
InChIInChI=1S/C8H14/c1-3-5-7-8-6-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyHWXQYUCHSICMAS-KQQUZDAGSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

trans-Alloocimene
CID 5368821
beta-Ocimene
CID 18756
trans-2-Pentene
CID 5326161
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
cis-2-PENTENE
CID 5326160
1,4-Hexadiene
CID 11599
Pent-2-ene
CID 12585
2,6-Dimethylocta-2,4,6-triene
CID 12658
1,3,5-Undecatriene
CID 61832
(3E,5E)-1,3,5-Undecatriene
CID 5367412
2,4-Hexadiene, 3-methyl-
CID 5367612

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-octa-3,5-diene?
The IUPAC name of (3E,5E)-octa-3,5-diene (CID 5352266) is (3E,5E)-octa-3,5-diene.
What is the SMILES notation for (3E,5E)-octa-3,5-diene?
The canonical SMILES for (3E,5E)-octa-3,5-diene is CC/C=C/C=C/CC.
What is the InChIKey of (3E,5E)-octa-3,5-diene?
The InChIKey is HWXQYUCHSICMAS-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+.
What are the key properties of (3E,5E)-octa-3,5-diene?
(3E,5E)-octa-3,5-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 (3E,5E)-octa-3,5-diene is sourced from PubChem (CID 5352266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).