(2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-methylheptanenitrile

C11H22ClNOSi — CID 134967925

IUPAC(2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-methylheptanenitrile
SMILESCCCCC[C@@](C)(C#N)O[Si](C)(C)CCl
InChIInChI=1S/C11H22ClNOSi/c1-5-6-7-8-11(2,9-13)14-15(3,4)10-12/h5-8,10H2,1-4H3/t11-/m0/s1
InChIKeyHKNPTKKZPABNMD-NSHDSACASA-N
MW247.84 g/mol
LogP3.85
Rot. Bonds7

About (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-methylheptanenitrile

(2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-methylheptanenitrile (PubChem CID 134967925) has the molecular formula C11H22ClNOSi and a molecular weight of 247.84 g/mol. Its IUPAC name is (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-methylheptanenitrile.

Molecular Properties

Compound Name(2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-methylheptanenitrile
PubChem CID134967925
Molecular FormulaC11H22ClNOSi
Molecular Weight247.84 g/mol
Exact Mass247.12
IUPAC Name(2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-methylheptanenitrile
SMILESCCCCC[C@@](C)(C#N)O[Si](C)(C)CCl
InChIInChI=1S/C11H22ClNOSi/c1-5-6-7-8-11(2,9-13)14-15(3,4)10-12/h5-8,10H2,1-4H3/t11-/m0/s1
InChIKeyHKNPTKKZPABNMD-NSHDSACASA-N
XLogP3.85
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.84
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-(2-cyanoheptan-2-yloxy)-4-oxobutanoic acid
CID 88616800
dodecane-5,5,6,6-tetracarbonitrile
CID 88846112
(2R)-2-phenyl-2-trimethylsilyloxynonanenitrile
CID 129403873
chloromethyl-dimethyl-tetradecoxysilane
CID 554899
3-butyl-3-trimethylsilyloxyheptanenitrile
CID 87839604
chloromethyl-dimethyl-tridecan-5-yloxysilane
CID 554244
3-hydroxy-2,2,3-trimethyloctanenitrile
CID 80560062
dimethyl-(2-methyldecan-2-yl)-trimethylsilyloxysilane
CID 140750071
trimethyl-(1-silyloxy-1-trimethylsilyloxyundecoxy)silane
CID 123304582
boric acid;2-hexyl-2-methyloctanenitrile
CID 175281254
chloromethyl-dimethyl-tridecan-2-yloxysilane
CID 554737
2-chloro-2-methylundecane;ethene
CID 158323150

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-methylheptanenitrile?
The IUPAC name of (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-methylheptanenitrile (CID 134967925) is (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-methylheptanenitrile.
What is the SMILES notation for (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-methylheptanenitrile?
The canonical SMILES for (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-methylheptanenitrile is CCCCC[C@@](C)(C#N)O[Si](C)(C)CCl.
What is the InChIKey of (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-methylheptanenitrile?
The InChIKey is HKNPTKKZPABNMD-NSHDSACASA-N. The full InChI is InChI=1S/C11H22ClNOSi/c1-5-6-7-8-11(2,9-13)14-15(3,4)10-12/h5-8,10H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-methylheptanenitrile?
(2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-methylheptanenitrile has a molecular weight of 247.84 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-methylheptanenitrile is sourced from PubChem (CID 134967925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).