12-triethoxysilyldodecanenitrile

C18H37NO3Si — CID 45158997

IUPAC12-triethoxysilyldodecanenitrile
SMILESCCO[Si](CCCCCCCCCCCC#N)(OCC)OCC
InChIInChI=1S/C18H37NO3Si/c1-4-20-23(21-5-2,22-6-3)18-16-14-12-10-8-7-9-11-13-15-17-19/h4-16,18H2,1-3H3
InChIKeyXXUXSMAFHCEKNZ-UHFFFAOYSA-N
MW343.58 g/mol
LogP5.46
Rot. Bonds17

About 12-triethoxysilyldodecanenitrile

12-triethoxysilyldodecanenitrile (PubChem CID 45158997) has the molecular formula C18H37NO3Si and a molecular weight of 343.58 g/mol. Its IUPAC name is 12-triethoxysilyldodecanenitrile.

Molecular Properties

Compound Name12-triethoxysilyldodecanenitrile
PubChem CID45158997
Molecular FormulaC18H37NO3Si
Molecular Weight343.58 g/mol
Exact Mass343.25
IUPAC Name12-triethoxysilyldodecanenitrile
SMILESCCO[Si](CCCCCCCCCCCC#N)(OCC)OCC
InChIInChI=1S/C18H37NO3Si/c1-4-20-23(21-5-2,22-6-3)18-16-14-12-10-8-7-9-11-13-15-17-19/h4-16,18H2,1-3H3
InChIKeyXXUXSMAFHCEKNZ-UHFFFAOYSA-N
XLogP5.46
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.58
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile
CID 87442865
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
oxo(11-triethoxysilylundecylidyne)-λ5-phosphane
CID 155776293
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
20-triethoxysilylicosane-1-thiol
CID 87684173
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
28-chlorooctacosyl(triethoxy)silane
CID 87685970

Frequently Asked Questions

What is the IUPAC name of 12-triethoxysilyldodecanenitrile?
The IUPAC name of 12-triethoxysilyldodecanenitrile (CID 45158997) is 12-triethoxysilyldodecanenitrile.
What is the SMILES notation for 12-triethoxysilyldodecanenitrile?
The canonical SMILES for 12-triethoxysilyldodecanenitrile is CCO[Si](CCCCCCCCCCCC#N)(OCC)OCC.
What is the InChIKey of 12-triethoxysilyldodecanenitrile?
The InChIKey is XXUXSMAFHCEKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO3Si/c1-4-20-23(21-5-2,22-6-3)18-16-14-12-10-8-7-9-11-13-15-17-19/h4-16,18H2,1-3H3.
What are the key properties of 12-triethoxysilyldodecanenitrile?
12-triethoxysilyldodecanenitrile has a molecular weight of 343.58 g/mol, XLogP of 5.46, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-triethoxysilyldodecanenitrile is sourced from PubChem (CID 45158997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).