undecanenitrile

C11H21N — CID 16722

IUPACundecanenitrile
SMILESCCCCCCCCCCC#N
InChIInChI=1S/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3
InChIKeySZKKNEOUHLFYNA-UHFFFAOYSA-N
MW167.30 g/mol
LogP4.04
Rot. Bonds8

About undecanenitrile

undecanenitrile (PubChem CID 16722) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is undecanenitrile.

Molecular Properties

Compound Nameundecanenitrile
PubChem CID16722
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameundecanenitrile
SMILESCCCCCCCCCCC#N
InChIInChI=1S/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3
InChIKeySZKKNEOUHLFYNA-UHFFFAOYSA-N
XLogP4.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octadecanenitrile
CID 12532
henicos-10-ynenitrile;hydrochloride
CID 142049012
6-hexyltridecanenitrile
CID 129015600
octadec-6-enenitrile
CID 54098739
21-methylhentriacontanenitrile
CID 527382
16-(dihexadecylamino)hexadecanenitrile
CID 139661963
21,25-dimethylhentriacontanenitrile
CID 527376
sodium;chloro(trimethyl)silane;octanenitrile;iodide
CID 173247567
henicosanedinitrile
CID 87345062
1-isocyanooctane;8-isocyanooctanenitrile
CID 161128912
4-(octylamino)butanenitrile
CID 78914352
heptanenitrile;toluene
CID 174898319

Frequently Asked Questions

What is the IUPAC name of undecanenitrile?
The IUPAC name of undecanenitrile (CID 16722) is undecanenitrile.
What is the SMILES notation for undecanenitrile?
The canonical SMILES for undecanenitrile is CCCCCCCCCCC#N.
What is the InChIKey of undecanenitrile?
The InChIKey is SZKKNEOUHLFYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3.
What are the key properties of undecanenitrile?
undecanenitrile has a molecular weight of 167.30 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undecanenitrile is sourced from PubChem (CID 16722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).