8,12-dimethyltetradeca-1,3,8,13-tetraene

C16H26 — CID 91474104

IUPAC8,12-dimethyltetradeca-1,3,8,13-tetraene
SMILESC=CC=CCCCC(C)=CCCC(C)C=C
InChIInChI=1S/C16H26/c1-5-7-8-9-10-12-16(4)14-11-13-15(3)6-2/h5-8,14-15H,1-2,9-13H2,3-4H3
InChIKeyHAQHVTUWYJBLTF-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.45
Rot. Bonds9

About 8,12-dimethyltetradeca-1,3,8,13-tetraene

8,12-dimethyltetradeca-1,3,8,13-tetraene (PubChem CID 91474104) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 8,12-dimethyltetradeca-1,3,8,13-tetraene.

Molecular Properties

Compound Name8,12-dimethyltetradeca-1,3,8,13-tetraene
PubChem CID91474104
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name8,12-dimethyltetradeca-1,3,8,13-tetraene
SMILESC=CC=CCCCC(C)=CCCC(C)C=C
InChIInChI=1S/C16H26/c1-5-7-8-9-10-12-16(4)14-11-13-15(3)6-2/h5-8,14-15H,1-2,9-13H2,3-4H3
InChIKeyHAQHVTUWYJBLTF-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 8,12-dimethyltetradeca-1,3,8,13-tetraene?
The IUPAC name of 8,12-dimethyltetradeca-1,3,8,13-tetraene (CID 91474104) is 8,12-dimethyltetradeca-1,3,8,13-tetraene.
What is the SMILES notation for 8,12-dimethyltetradeca-1,3,8,13-tetraene?
The canonical SMILES for 8,12-dimethyltetradeca-1,3,8,13-tetraene is C=CC=CCCCC(C)=CCCC(C)C=C.
What is the InChIKey of 8,12-dimethyltetradeca-1,3,8,13-tetraene?
The InChIKey is HAQHVTUWYJBLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-5-7-8-9-10-12-16(4)14-11-13-15(3)6-2/h5-8,14-15H,1-2,9-13H2,3-4H3.
What are the key properties of 8,12-dimethyltetradeca-1,3,8,13-tetraene?
8,12-dimethyltetradeca-1,3,8,13-tetraene has a molecular weight of 218.38 g/mol, XLogP of 5.45, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,12-dimethyltetradeca-1,3,8,13-tetraene is sourced from PubChem (CID 91474104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).