4-phenylselanyldecanenitrile

C16H23NSe — CID 11781797

IUPAC4-phenylselanyldecanenitrile
SMILESCCCCCCC(CCC#N)[Se]c1ccccc1
InChIInChI=1S/C16H23NSe/c1-2-3-4-6-10-16(13-9-14-17)18-15-11-7-5-8-12-15/h5,7-8,11-12,16H,2-4,6,9-10,13H2,1H3
InChIKeyRHTKZSQZPUGWIR-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.08
Rot. Bonds9

About 4-phenylselanyldecanenitrile

4-phenylselanyldecanenitrile (PubChem CID 11781797) has the molecular formula C16H23NSe and a molecular weight of 308.33 g/mol. Its IUPAC name is 4-phenylselanyldecanenitrile.

Molecular Properties

Compound Name4-phenylselanyldecanenitrile
PubChem CID11781797
Molecular FormulaC16H23NSe
Molecular Weight308.33 g/mol
Exact Mass309.10
IUPAC Name4-phenylselanyldecanenitrile
SMILESCCCCCCC(CCC#N)[Se]c1ccccc1
InChIInChI=1S/C16H23NSe/c1-2-3-4-6-10-16(13-9-14-17)18-15-11-7-5-8-12-15/h5,7-8,11-12,16H,2-4,6,9-10,13H2,1H3
InChIKeyRHTKZSQZPUGWIR-UHFFFAOYSA-N
XLogP4.08
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trichlorononan-3-ylselanylbenzene
CID 10872760
1-phenylselanylheptylselanylbenzene
CID 10993276
heptanenitrile;toluene
CID 174898319
4-(2-phenylethylsulfanyl)undecanenitrile
CID 122214311
1,1'-biphenyl;pentanenitrile
CID 161141924
1-phenylselanyloctan-2-yl thiocyanate
CID 10520169
pentanenitrile;toluene
CID 158377987
octadecanenitrile
CID 12532
undecanenitrile
CID 16722
6-hexyltridecanenitrile
CID 129015600
4-sulfanylpentadecanenitrile
CID 154109703
4-hydroxydodecanenitrile
CID 10488163

Frequently Asked Questions

What is the IUPAC name of 4-phenylselanyldecanenitrile?
The IUPAC name of 4-phenylselanyldecanenitrile (CID 11781797) is 4-phenylselanyldecanenitrile.
What is the SMILES notation for 4-phenylselanyldecanenitrile?
The canonical SMILES for 4-phenylselanyldecanenitrile is CCCCCCC(CCC#N)[Se]c1ccccc1.
What is the InChIKey of 4-phenylselanyldecanenitrile?
The InChIKey is RHTKZSQZPUGWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NSe/c1-2-3-4-6-10-16(13-9-14-17)18-15-11-7-5-8-12-15/h5,7-8,11-12,16H,2-4,6,9-10,13H2,1H3.
What are the key properties of 4-phenylselanyldecanenitrile?
4-phenylselanyldecanenitrile has a molecular weight of 308.33 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylselanyldecanenitrile is sourced from PubChem (CID 11781797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).