octadecanenitrile

C18H35N — CID 12532

IUPACoctadecanenitrile
SMILESCCCCCCCCCCCCCCCCCC#N
InChIInChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-17H2,1H3
InChIKeyRHSBIGNQEIPSCT-UHFFFAOYSA-N
MW265.48 g/mol
LogP6.77
Rot. Bonds15

About octadecanenitrile

octadecanenitrile (PubChem CID 12532) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is octadecanenitrile.

Molecular Properties

Compound Nameoctadecanenitrile
PubChem CID12532
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Nameoctadecanenitrile
SMILESCCCCCCCCCCCCCCCCCC#N
InChIInChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-17H2,1H3
InChIKeyRHSBIGNQEIPSCT-UHFFFAOYSA-N
XLogP6.77
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 56.77
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

undecanenitrile
CID 16722
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 octadecanenitrile?
The IUPAC name of octadecanenitrile (CID 12532) is octadecanenitrile.
What is the SMILES notation for octadecanenitrile?
The canonical SMILES for octadecanenitrile is CCCCCCCCCCCCCCCCCC#N.
What is the InChIKey of octadecanenitrile?
The InChIKey is RHSBIGNQEIPSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-17H2,1H3.
What are the key properties of octadecanenitrile?
octadecanenitrile has a molecular weight of 265.48 g/mol, XLogP of 6.77, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadecanenitrile is sourced from PubChem (CID 12532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).