13,13-dimethyltetradeca-3,7,11-trienamide

C16H27NO — CID 154015526

IUPAC13,13-dimethyltetradeca-3,7,11-trienamide
SMILESCC(C)(C)C=CCCC=CCCC=CCC(N)=O
InChIInChI=1S/C16H27NO/c1-16(2,3)14-12-10-8-6-4-5-7-9-11-13-15(17)18/h4,6,9,11-12,14H,5,7-8,10,13H2,1-3H3,(H2,17,18)
InChIKeySVMABIAHTFDCCR-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.14
Rot. Bonds8

About 13,13-dimethyltetradeca-3,7,11-trienamide

13,13-dimethyltetradeca-3,7,11-trienamide (PubChem CID 154015526) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 13,13-dimethyltetradeca-3,7,11-trienamide.

Molecular Properties

Compound Name13,13-dimethyltetradeca-3,7,11-trienamide
PubChem CID154015526
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name13,13-dimethyltetradeca-3,7,11-trienamide
SMILESCC(C)(C)C=CCCC=CCCC=CCC(N)=O
InChIInChI=1S/C16H27NO/c1-16(2,3)14-12-10-8-6-4-5-7-9-11-13-15(17)18/h4,6,9,11-12,14H,5,7-8,10,13H2,1-3H3,(H2,17,18)
InChIKeySVMABIAHTFDCCR-UHFFFAOYSA-N
XLogP4.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 13,13-dimethyltetradeca-3,7,11-trienamide?
The IUPAC name of 13,13-dimethyltetradeca-3,7,11-trienamide (CID 154015526) is 13,13-dimethyltetradeca-3,7,11-trienamide.
What is the SMILES notation for 13,13-dimethyltetradeca-3,7,11-trienamide?
The canonical SMILES for 13,13-dimethyltetradeca-3,7,11-trienamide is CC(C)(C)C=CCCC=CCCC=CCC(N)=O.
What is the InChIKey of 13,13-dimethyltetradeca-3,7,11-trienamide?
The InChIKey is SVMABIAHTFDCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-16(2,3)14-12-10-8-6-4-5-7-9-11-13-15(17)18/h4,6,9,11-12,14H,5,7-8,10,13H2,1-3H3,(H2,17,18).
What are the key properties of 13,13-dimethyltetradeca-3,7,11-trienamide?
13,13-dimethyltetradeca-3,7,11-trienamide has a molecular weight of 249.40 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-dimethyltetradeca-3,7,11-trienamide is sourced from PubChem (CID 154015526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).