6-[diethoxy(methyl)silyl]-2-methylhexanenitrile

C12H25NO2Si — CID 154276430

IUPAC6-[diethoxy(methyl)silyl]-2-methylhexanenitrile
SMILESCCO[Si](C)(CCCCC(C)C#N)OCC
InChIInChI=1S/C12H25NO2Si/c1-5-14-16(4,15-6-2)10-8-7-9-12(3)11-13/h12H,5-10H2,1-4H3
InChIKeyGCHIKTIAMGVUCG-UHFFFAOYSA-N
MW243.42 g/mol
LogP3.46
Rot. Bonds9

About 6-[diethoxy(methyl)silyl]-2-methylhexanenitrile

6-[diethoxy(methyl)silyl]-2-methylhexanenitrile (PubChem CID 154276430) has the molecular formula C12H25NO2Si and a molecular weight of 243.42 g/mol. Its IUPAC name is 6-[diethoxy(methyl)silyl]-2-methylhexanenitrile.

Molecular Properties

Compound Name6-[diethoxy(methyl)silyl]-2-methylhexanenitrile
PubChem CID154276430
Molecular FormulaC12H25NO2Si
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name6-[diethoxy(methyl)silyl]-2-methylhexanenitrile
SMILESCCO[Si](C)(CCCCC(C)C#N)OCC
InChIInChI=1S/C12H25NO2Si/c1-5-14-16(4,15-6-2)10-8-7-9-12(3)11-13/h12H,5-10H2,1-4H3
InChIKeyGCHIKTIAMGVUCG-UHFFFAOYSA-N
XLogP3.46
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one
CID 87593412
4-[diethoxy(methyl)silyl]butyl thiocyanate
CID 151709752
2,6-dimethylheptanedinitrile
CID 15584321
diethoxy-methyl-undecylsilane
CID 140884401
ethoxy-methyl-octyl-propan-2-yloxysilane
CID 175038920
[diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane
CID 165005930
4-[diethoxy(methyl)silyl]-N,N-bis(trimethylsilyl)butan-1-amine
CID 87559726
ethoxy-dimethyl-(7-methyloctyl)silane
CID 139725717
4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane
CID 141486551
diethoxy-[3-(ethoxy-ethyl-methylsilyl)propyl]-methylsilane
CID 58151778
6-(dimethylamino)-2-methylhexanenitrile
CID 54049734
ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate
CID 22065744

Frequently Asked Questions

What is the IUPAC name of 6-[diethoxy(methyl)silyl]-2-methylhexanenitrile?
The IUPAC name of 6-[diethoxy(methyl)silyl]-2-methylhexanenitrile (CID 154276430) is 6-[diethoxy(methyl)silyl]-2-methylhexanenitrile.
What is the SMILES notation for 6-[diethoxy(methyl)silyl]-2-methylhexanenitrile?
The canonical SMILES for 6-[diethoxy(methyl)silyl]-2-methylhexanenitrile is CCO[Si](C)(CCCCC(C)C#N)OCC.
What is the InChIKey of 6-[diethoxy(methyl)silyl]-2-methylhexanenitrile?
The InChIKey is GCHIKTIAMGVUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2Si/c1-5-14-16(4,15-6-2)10-8-7-9-12(3)11-13/h12H,5-10H2,1-4H3.
What are the key properties of 6-[diethoxy(methyl)silyl]-2-methylhexanenitrile?
6-[diethoxy(methyl)silyl]-2-methylhexanenitrile has a molecular weight of 243.42 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[diethoxy(methyl)silyl]-2-methylhexanenitrile is sourced from PubChem (CID 154276430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).