5,12,13-trimethylhexadeca-1,4,6,10-tetraene

C19H32 — CID 91303778

IUPAC5,12,13-trimethylhexadeca-1,4,6,10-tetraene
SMILESC=CCC=C(C)C=CCCC=CC(C)C(C)CCC
InChIInChI=1S/C19H32/c1-6-8-14-17(3)15-11-9-10-12-16-19(5)18(4)13-7-2/h6,11-12,14-16,18-19H,1,7-10,13H2,2-5H3
InChIKeyZWUMXUOUTMQOGN-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.47
Rot. Bonds10

About 5,12,13-trimethylhexadeca-1,4,6,10-tetraene

5,12,13-trimethylhexadeca-1,4,6,10-tetraene (PubChem CID 91303778) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 5,12,13-trimethylhexadeca-1,4,6,10-tetraene.

Molecular Properties

Compound Name5,12,13-trimethylhexadeca-1,4,6,10-tetraene
PubChem CID91303778
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name5,12,13-trimethylhexadeca-1,4,6,10-tetraene
SMILESC=CCC=C(C)C=CCCC=CC(C)C(C)CCC
InChIInChI=1S/C19H32/c1-6-8-14-17(3)15-11-9-10-12-16-19(5)18(4)13-7-2/h6,11-12,14-16,18-19H,1,7-10,13H2,2-5H3
InChIKeyZWUMXUOUTMQOGN-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.47
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 5,12,13-trimethylhexadeca-1,4,6,10-tetraene?
The IUPAC name of 5,12,13-trimethylhexadeca-1,4,6,10-tetraene (CID 91303778) is 5,12,13-trimethylhexadeca-1,4,6,10-tetraene.
What is the SMILES notation for 5,12,13-trimethylhexadeca-1,4,6,10-tetraene?
The canonical SMILES for 5,12,13-trimethylhexadeca-1,4,6,10-tetraene is C=CCC=C(C)C=CCCC=CC(C)C(C)CCC.
What is the InChIKey of 5,12,13-trimethylhexadeca-1,4,6,10-tetraene?
The InChIKey is ZWUMXUOUTMQOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-6-8-14-17(3)15-11-9-10-12-16-19(5)18(4)13-7-2/h6,11-12,14-16,18-19H,1,7-10,13H2,2-5H3.
What are the key properties of 5,12,13-trimethylhexadeca-1,4,6,10-tetraene?
5,12,13-trimethylhexadeca-1,4,6,10-tetraene has a molecular weight of 260.46 g/mol, XLogP of 6.47, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12,13-trimethylhexadeca-1,4,6,10-tetraene is sourced from PubChem (CID 91303778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).