8,12-dimethyltridec-11-enenitrile

C15H27N — CID 15153641

IUPAC8,12-dimethyltridec-11-enenitrile
SMILESCC(C)=CCCC(C)CCCCCCC#N
InChIInChI=1S/C15H27N/c1-14(2)10-9-12-15(3)11-7-5-4-6-8-13-16/h10,15H,4-9,11-12H2,1-3H3
InChIKeyLNLQMDILLASPJC-UHFFFAOYSA-N
MW221.39 g/mol
LogP5.23
Rot. Bonds9

About 8,12-dimethyltridec-11-enenitrile

8,12-dimethyltridec-11-enenitrile (PubChem CID 15153641) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 8,12-dimethyltridec-11-enenitrile.

Molecular Properties

Compound Name8,12-dimethyltridec-11-enenitrile
PubChem CID15153641
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name8,12-dimethyltridec-11-enenitrile
SMILESCC(C)=CCCC(C)CCCCCCC#N
InChIInChI=1S/C15H27N/c1-14(2)10-9-12-15(3)11-7-5-4-6-8-13-16/h10,15H,4-9,11-12H2,1-3H3
InChIKeyLNLQMDILLASPJC-UHFFFAOYSA-N
XLogP5.23
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.39
LogP ≤ 55.23
H-Bond Donors ≤ 50
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 8,12-dimethyltridec-11-enenitrile?
The IUPAC name of 8,12-dimethyltridec-11-enenitrile (CID 15153641) is 8,12-dimethyltridec-11-enenitrile.
What is the SMILES notation for 8,12-dimethyltridec-11-enenitrile?
The canonical SMILES for 8,12-dimethyltridec-11-enenitrile is CC(C)=CCCC(C)CCCCCCC#N.
What is the InChIKey of 8,12-dimethyltridec-11-enenitrile?
The InChIKey is LNLQMDILLASPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-14(2)10-9-12-15(3)11-7-5-4-6-8-13-16/h10,15H,4-9,11-12H2,1-3H3.
What are the key properties of 8,12-dimethyltridec-11-enenitrile?
8,12-dimethyltridec-11-enenitrile has a molecular weight of 221.39 g/mol, XLogP of 5.23, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,12-dimethyltridec-11-enenitrile is sourced from PubChem (CID 15153641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).