(2Z,4E,6E)-octa-2,4,6-triene

C8H12 — CID 91748020

IUPAC(2Z,4E,6E)-octa-2,4,6-triene
SMILESC/C=C\C=C\C=C\C
InChIInChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-8H,1-2H3/b5-3-,6-4+,8-7+
InChIKeyCGMDPTNRMYIZTM-USKFMLJNSA-N
MW108.18 g/mol
LogP2.69
Rot. Bonds2

About (2Z,4E,6E)-octa-2,4,6-triene

(2Z,4E,6E)-octa-2,4,6-triene (PubChem CID 91748020) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is (2Z,4E,6E)-octa-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4E,6E)-octa-2,4,6-triene
PubChem CID91748020
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name(2Z,4E,6E)-octa-2,4,6-triene
SMILESC/C=C\C=C\C=C\C
InChIInChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-8H,1-2H3/b5-3-,6-4+,8-7+
InChIKeyCGMDPTNRMYIZTM-USKFMLJNSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.69
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 (2Z,4E,6E)-octa-2,4,6-triene?
The IUPAC name of (2Z,4E,6E)-octa-2,4,6-triene (CID 91748020) is (2Z,4E,6E)-octa-2,4,6-triene.
What is the SMILES notation for (2Z,4E,6E)-octa-2,4,6-triene?
The canonical SMILES for (2Z,4E,6E)-octa-2,4,6-triene is C/C=C\C=C\C=C\C.
What is the InChIKey of (2Z,4E,6E)-octa-2,4,6-triene?
The InChIKey is CGMDPTNRMYIZTM-USKFMLJNSA-N. The full InChI is InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-8H,1-2H3/b5-3-,6-4+,8-7+.
What are the key properties of (2Z,4E,6E)-octa-2,4,6-triene?
(2Z,4E,6E)-octa-2,4,6-triene has a molecular weight of 108.18 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-octa-2,4,6-triene is sourced from PubChem (CID 91748020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).