2-(trimethylsilyloxymethyl)octanenitrile

C12H25NOSi — CID 15064377

IUPAC2-(trimethylsilyloxymethyl)octanenitrile
SMILESCCCCCCC(C#N)CO[Si](C)(C)C
InChIInChI=1S/C12H25NOSi/c1-5-6-7-8-9-12(10-13)11-14-15(2,3)4/h12H,5-9,11H2,1-4H3
InChIKeyAYCDZILZIGGKSX-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.95
Rot. Bonds8

About 2-(trimethylsilyloxymethyl)octanenitrile

2-(trimethylsilyloxymethyl)octanenitrile (PubChem CID 15064377) has the molecular formula C12H25NOSi and a molecular weight of 227.42 g/mol. Its IUPAC name is 2-(trimethylsilyloxymethyl)octanenitrile.

Molecular Properties

Compound Name2-(trimethylsilyloxymethyl)octanenitrile
PubChem CID15064377
Molecular FormulaC12H25NOSi
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name2-(trimethylsilyloxymethyl)octanenitrile
SMILESCCCCCCC(C#N)CO[Si](C)(C)C
InChIInChI=1S/C12H25NOSi/c1-5-6-7-8-9-12(10-13)11-14-15(2,3)4/h12H,5-9,11H2,1-4H3
InChIKeyAYCDZILZIGGKSX-UHFFFAOYSA-N
XLogP3.95
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-octadecylicosanenitrile
CID 89491101
2-octyldodecanenitrile
CID 87721815
2-propylhexadecanenitrile
CID 54538320
2-(hydroxymethyl)undecanenitrile
CID 63215515
2-cyanooctyl prop-2-enoate
CID 155665658
2-cyanooctyl 2-methylprop-2-enoate
CID 139633451
2-butylheptanedinitrile
CID 175152726
2-oct-2-enyldodecanenitrile
CID 54070716
(1-heptadecoxy-3-trimethylsilyloxypropan-2-yl)oxy-trimethylsilane
CID 91733516
5-cyclopropyl-2-pentyldecanenitrile
CID 67872416
4-cyanoundecanamide
CID 71433018
trimethyl(1-trimethylsilyloxyoctan-3-yloxy)silane
CID 14213504

Frequently Asked Questions

What is the IUPAC name of 2-(trimethylsilyloxymethyl)octanenitrile?
The IUPAC name of 2-(trimethylsilyloxymethyl)octanenitrile (CID 15064377) is 2-(trimethylsilyloxymethyl)octanenitrile.
What is the SMILES notation for 2-(trimethylsilyloxymethyl)octanenitrile?
The canonical SMILES for 2-(trimethylsilyloxymethyl)octanenitrile is CCCCCCC(C#N)CO[Si](C)(C)C.
What is the InChIKey of 2-(trimethylsilyloxymethyl)octanenitrile?
The InChIKey is AYCDZILZIGGKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOSi/c1-5-6-7-8-9-12(10-13)11-14-15(2,3)4/h12H,5-9,11H2,1-4H3.
What are the key properties of 2-(trimethylsilyloxymethyl)octanenitrile?
2-(trimethylsilyloxymethyl)octanenitrile has a molecular weight of 227.42 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethylsilyloxymethyl)octanenitrile is sourced from PubChem (CID 15064377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).