6,10-dimethyl-4-oxoundec-9-enenitrile

C13H21NO — CID 14787616

IUPAC6,10-dimethyl-4-oxoundec-9-enenitrile
SMILESCC(C)=CCCC(C)CC(=O)CCC#N
InChIInChI=1S/C13H21NO/c1-11(2)6-4-7-12(3)10-13(15)8-5-9-14/h6,12H,4-5,7-8,10H2,1-3H3
InChIKeyAHJGXEBLJUYFOO-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.63
Rot. Bonds7

About 6,10-dimethyl-4-oxoundec-9-enenitrile

6,10-dimethyl-4-oxoundec-9-enenitrile (PubChem CID 14787616) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 6,10-dimethyl-4-oxoundec-9-enenitrile.

Molecular Properties

Compound Name6,10-dimethyl-4-oxoundec-9-enenitrile
PubChem CID14787616
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name6,10-dimethyl-4-oxoundec-9-enenitrile
SMILESCC(C)=CCCC(C)CC(=O)CCC#N
InChIInChI=1S/C13H21NO/c1-11(2)6-4-7-12(3)10-13(15)8-5-9-14/h6,12H,4-5,7-8,10H2,1-3H3
InChIKeyAHJGXEBLJUYFOO-UHFFFAOYSA-N
XLogP3.63
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,10-dimethyl-4-oxoundec-9-enenitrile?
The IUPAC name of 6,10-dimethyl-4-oxoundec-9-enenitrile (CID 14787616) is 6,10-dimethyl-4-oxoundec-9-enenitrile.
What is the SMILES notation for 6,10-dimethyl-4-oxoundec-9-enenitrile?
The canonical SMILES for 6,10-dimethyl-4-oxoundec-9-enenitrile is CC(C)=CCCC(C)CC(=O)CCC#N.
What is the InChIKey of 6,10-dimethyl-4-oxoundec-9-enenitrile?
The InChIKey is AHJGXEBLJUYFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)6-4-7-12(3)10-13(15)8-5-9-14/h6,12H,4-5,7-8,10H2,1-3H3.
What are the key properties of 6,10-dimethyl-4-oxoundec-9-enenitrile?
6,10-dimethyl-4-oxoundec-9-enenitrile has a molecular weight of 207.32 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethyl-4-oxoundec-9-enenitrile is sourced from PubChem (CID 14787616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).