(3E)-trideca-1,3-diene

C13H24 — CID 6442620

IUPAC(3E)-trideca-1,3-diene
SMILESC=C/C=C/CCCCCCCCC
InChIInChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7H,1,4,6,8-13H2,2H3/b7-5+
InChIKeyIRVGWDJFZXOKDK-FNORWQNLSA-N
MW180.34 g/mol
LogP4.87
Rot. Bonds9

About (3E)-trideca-1,3-diene

(3E)-trideca-1,3-diene (PubChem CID 6442620) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is (3E)-trideca-1,3-diene.

Molecular Properties

Compound Name(3E)-trideca-1,3-diene
PubChem CID6442620
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name(3E)-trideca-1,3-diene
SMILESC=C/C=C/CCCCCCCCC
InChIInChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7H,1,4,6,8-13H2,2H3/b7-5+
InChIKeyIRVGWDJFZXOKDK-FNORWQNLSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-trideca-1,3-diene?
The IUPAC name of (3E)-trideca-1,3-diene (CID 6442620) is (3E)-trideca-1,3-diene.
What is the SMILES notation for (3E)-trideca-1,3-diene?
The canonical SMILES for (3E)-trideca-1,3-diene is C=C/C=C/CCCCCCCCC.
What is the InChIKey of (3E)-trideca-1,3-diene?
The InChIKey is IRVGWDJFZXOKDK-FNORWQNLSA-N. The full InChI is InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7H,1,4,6,8-13H2,2H3/b7-5+.
What are the key properties of (3E)-trideca-1,3-diene?
(3E)-trideca-1,3-diene has a molecular weight of 180.34 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-trideca-1,3-diene is sourced from PubChem (CID 6442620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).