2-ethyl-2-octyldecanenitrile

C20H39N — CID 134889419

IUPAC2-ethyl-2-octyldecanenitrile
SMILESCCCCCCCCC(C#N)(CC)CCCCCCCC
InChIInChI=1S/C20H39N/c1-4-7-9-11-13-15-17-20(6-3,19-21)18-16-14-12-10-8-5-2/h4-18H2,1-3H3
InChIKeyLPZMPCNNUOFGKB-UHFFFAOYSA-N
MW293.54 g/mol
LogP7.41
Rot. Bonds15

About 2-ethyl-2-octyldecanenitrile

2-ethyl-2-octyldecanenitrile (PubChem CID 134889419) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is 2-ethyl-2-octyldecanenitrile.

Molecular Properties

Compound Name2-ethyl-2-octyldecanenitrile
PubChem CID134889419
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC Name2-ethyl-2-octyldecanenitrile
SMILESCCCCCCCCC(C#N)(CC)CCCCCCCC
InChIInChI=1S/C20H39N/c1-4-7-9-11-13-15-17-20(6-3,19-21)18-16-14-12-10-8-5-2/h4-18H2,1-3H3
InChIKeyLPZMPCNNUOFGKB-UHFFFAOYSA-N
XLogP7.41
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 57.41
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-octyldecanenitrile?
The IUPAC name of 2-ethyl-2-octyldecanenitrile (CID 134889419) is 2-ethyl-2-octyldecanenitrile.
What is the SMILES notation for 2-ethyl-2-octyldecanenitrile?
The canonical SMILES for 2-ethyl-2-octyldecanenitrile is CCCCCCCCC(C#N)(CC)CCCCCCCC.
What is the InChIKey of 2-ethyl-2-octyldecanenitrile?
The InChIKey is LPZMPCNNUOFGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-4-7-9-11-13-15-17-20(6-3,19-21)18-16-14-12-10-8-5-2/h4-18H2,1-3H3.
What are the key properties of 2-ethyl-2-octyldecanenitrile?
2-ethyl-2-octyldecanenitrile has a molecular weight of 293.54 g/mol, XLogP of 7.41, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-octyldecanenitrile is sourced from PubChem (CID 134889419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).