12-silyldodecanenitrile

C12H25NSi — CID 150980762

IUPAC12-silyldodecanenitrile
SMILESN#CCCCCCCCCCCC[SiH3]
InChIInChI=1S/C12H25NSi/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-10,12H2,14H3
InChIKeyLQAVLUAKLFERNE-UHFFFAOYSA-N
MW211.42 g/mol
LogP3.19
Rot. Bonds10

About 12-silyldodecanenitrile

12-silyldodecanenitrile (PubChem CID 150980762) has the molecular formula C12H25NSi and a molecular weight of 211.42 g/mol. Its IUPAC name is 12-silyldodecanenitrile.

Molecular Properties

Compound Name12-silyldodecanenitrile
PubChem CID150980762
Molecular FormulaC12H25NSi
Molecular Weight211.42 g/mol
Exact Mass211.18
IUPAC Name12-silyldodecanenitrile
SMILESN#CCCCCCCCCCCC[SiH3]
InChIInChI=1S/C12H25NSi/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-10,12H2,14H3
InChIKeyLQAVLUAKLFERNE-UHFFFAOYSA-N
XLogP3.19
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.42
LogP ≤ 53.19
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

5-silylpentanenitrile
CID 173242016
henicosanedinitrile
CID 87345062
6-silylhexylsilane
CID 123693844
undecanenitrile
CID 16722
octadecanenitrile
CID 12532
7-(2-cyanoethyl)tridecanedinitrile
CID 122418945
oct-7-enenitrile
CID 10909562
20-oxoicosanenitrile
CID 54108861
6-(2-cyanoethoxy)hexanenitrile
CID 142730413
4-bromobutanenitrile;5-bromopentanenitrile
CID 88806001
hexadeca-6,8,10-triynedinitrile
CID 171119204
henicos-10-ynenitrile;hydrochloride
CID 142049012

Frequently Asked Questions

What is the IUPAC name of 12-silyldodecanenitrile?
The IUPAC name of 12-silyldodecanenitrile (CID 150980762) is 12-silyldodecanenitrile.
What is the SMILES notation for 12-silyldodecanenitrile?
The canonical SMILES for 12-silyldodecanenitrile is N#CCCCCCCCCCCC[SiH3].
What is the InChIKey of 12-silyldodecanenitrile?
The InChIKey is LQAVLUAKLFERNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NSi/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-10,12H2,14H3.
What are the key properties of 12-silyldodecanenitrile?
12-silyldodecanenitrile has a molecular weight of 211.42 g/mol, XLogP of 3.19, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-silyldodecanenitrile is sourced from PubChem (CID 150980762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).