3,8-dimethylundeca-1,2,4,7-tetraene

C13H20 — CID 123889862

IUPAC3,8-dimethylundeca-1,2,4,7-tetraene
SMILESC=C=C(C)C=CCC=C(C)CCC
InChIInChI=1S/C13H20/c1-5-9-13(4)11-8-7-10-12(3)6-2/h7,10-11H,2,5,8-9H2,1,3-4H3
InChIKeyXOKFPMMPGBOYOD-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.41
Rot. Bonds5

About 3,8-dimethylundeca-1,2,4,7-tetraene

3,8-dimethylundeca-1,2,4,7-tetraene (PubChem CID 123889862) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 3,8-dimethylundeca-1,2,4,7-tetraene.

Molecular Properties

Compound Name3,8-dimethylundeca-1,2,4,7-tetraene
PubChem CID123889862
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name3,8-dimethylundeca-1,2,4,7-tetraene
SMILESC=C=C(C)C=CCC=C(C)CCC
InChIInChI=1S/C13H20/c1-5-9-13(4)11-8-7-10-12(3)6-2/h7,10-11H,2,5,8-9H2,1,3-4H3
InChIKeyXOKFPMMPGBOYOD-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
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 3,8-dimethylundeca-1,2,4,7-tetraene?
The IUPAC name of 3,8-dimethylundeca-1,2,4,7-tetraene (CID 123889862) is 3,8-dimethylundeca-1,2,4,7-tetraene.
What is the SMILES notation for 3,8-dimethylundeca-1,2,4,7-tetraene?
The canonical SMILES for 3,8-dimethylundeca-1,2,4,7-tetraene is C=C=C(C)C=CCC=C(C)CCC.
What is the InChIKey of 3,8-dimethylundeca-1,2,4,7-tetraene?
The InChIKey is XOKFPMMPGBOYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-5-9-13(4)11-8-7-10-12(3)6-2/h7,10-11H,2,5,8-9H2,1,3-4H3.
What are the key properties of 3,8-dimethylundeca-1,2,4,7-tetraene?
3,8-dimethylundeca-1,2,4,7-tetraene has a molecular weight of 176.30 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethylundeca-1,2,4,7-tetraene is sourced from PubChem (CID 123889862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).