(5E,7E,9E)-5,9-dimethylundeca-1,5,7,9-tetraene

C13H20 — CID 154709429

IUPAC(5E,7E,9E)-5,9-dimethylundeca-1,5,7,9-tetraene
SMILESC=CCC/C(C)=C/C=C/C(C)=C/C
InChIInChI=1S/C13H20/c1-5-7-9-13(4)11-8-10-12(3)6-2/h5-6,8,10-11H,1,7,9H2,2-4H3/b10-8+,12-6+,13-11+
InChIKeyJZSIPFXPANGVMI-FNOJJWLISA-N
MW176.30 g/mol
LogP4.42
Rot. Bonds5

About (5E,7E,9E)-5,9-dimethylundeca-1,5,7,9-tetraene

(5E,7E,9E)-5,9-dimethylundeca-1,5,7,9-tetraene (PubChem CID 154709429) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (5E,7E,9E)-5,9-dimethylundeca-1,5,7,9-tetraene.

Molecular Properties

Compound Name(5E,7E,9E)-5,9-dimethylundeca-1,5,7,9-tetraene
PubChem CID154709429
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(5E,7E,9E)-5,9-dimethylundeca-1,5,7,9-tetraene
SMILESC=CCC/C(C)=C/C=C/C(C)=C/C
InChIInChI=1S/C13H20/c1-5-7-9-13(4)11-8-10-12(3)6-2/h5-6,8,10-11H,1,7,9H2,2-4H3/b10-8+,12-6+,13-11+
InChIKeyJZSIPFXPANGVMI-FNOJJWLISA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E,7E,9E)-5,9-dimethylundeca-1,5,7,9-tetraene?
The IUPAC name of (5E,7E,9E)-5,9-dimethylundeca-1,5,7,9-tetraene (CID 154709429) is (5E,7E,9E)-5,9-dimethylundeca-1,5,7,9-tetraene.
What is the SMILES notation for (5E,7E,9E)-5,9-dimethylundeca-1,5,7,9-tetraene?
The canonical SMILES for (5E,7E,9E)-5,9-dimethylundeca-1,5,7,9-tetraene is C=CCC/C(C)=C/C=C/C(C)=C/C.
What is the InChIKey of (5E,7E,9E)-5,9-dimethylundeca-1,5,7,9-tetraene?
The InChIKey is JZSIPFXPANGVMI-FNOJJWLISA-N. The full InChI is InChI=1S/C13H20/c1-5-7-9-13(4)11-8-10-12(3)6-2/h5-6,8,10-11H,1,7,9H2,2-4H3/b10-8+,12-6+,13-11+.
What are the key properties of (5E,7E,9E)-5,9-dimethylundeca-1,5,7,9-tetraene?
(5E,7E,9E)-5,9-dimethylundeca-1,5,7,9-tetraene has a molecular weight of 176.30 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E,9E)-5,9-dimethylundeca-1,5,7,9-tetraene is sourced from PubChem (CID 154709429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).