[1-isocyano-1-(2-methylphenyl)ethoxy]-trimethylsilane

C13H19NOSi — CID 134997060

IUPAC[1-isocyano-1-(2-methylphenyl)ethoxy]-trimethylsilane
SMILES[C-]#[N+]C(C)(O[Si](C)(C)C)c1ccccc1C
InChIInChI=1S/C13H19NOSi/c1-11-9-7-8-10-12(11)13(2,14-3)15-16(4,5)6/h7-10H,1-2,4-6H3
InChIKeySHTDKOJFHADIOE-UHFFFAOYSA-N
MW233.39 g/mol
LogP3.94
Rot. Bonds3

About [1-isocyano-1-(2-methylphenyl)ethoxy]-trimethylsilane

[1-isocyano-1-(2-methylphenyl)ethoxy]-trimethylsilane (PubChem CID 134997060) has the molecular formula C13H19NOSi and a molecular weight of 233.39 g/mol. Its IUPAC name is [1-isocyano-1-(2-methylphenyl)ethoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-isocyano-1-(2-methylphenyl)ethoxy]-trimethylsilane
PubChem CID134997060
Molecular FormulaC13H19NOSi
Molecular Weight233.39 g/mol
Exact Mass233.12
IUPAC Name[1-isocyano-1-(2-methylphenyl)ethoxy]-trimethylsilane
SMILES[C-]#[N+]C(C)(O[Si](C)(C)C)c1ccccc1C
InChIInChI=1S/C13H19NOSi/c1-11-9-7-8-10-12(11)13(2,14-3)15-16(4,5)6/h7-10H,1-2,4-6H3
InChIKeySHTDKOJFHADIOE-UHFFFAOYSA-N
XLogP3.94
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N,N-dimethyl-1-phenyl-1-trimethylsilyloxyethanamine
CID 11208552
[1-(4-Fluorophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134996816
[1-(2-Fluorophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134999093
2-Trimethylsilyloxy-2-(2-methylphenyl)acetonitrile
CID 10036387
2-(2-Methylphenyl)-2-trimethylsilyloxypropanenitrile
CID 11608333
Trimethyl((1-(o-tolyl)vinyl)oxy)silane
CID 13451206
(1-Isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane
CID 58082217
(1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane
CID 59658168
(2S)-2-(2-methylphenyl)-2-trimethylsilyloxypropanenitrile
CID 101742514
(2R)-2-(2-methylphenyl)-2-trimethylsilyloxyacetonitrile
CID 102240577
2-(Dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile
CID 134927534
[1-(4-Chlorophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134996938

Frequently Asked Questions

What is the IUPAC name of [1-isocyano-1-(2-methylphenyl)ethoxy]-trimethylsilane?
The IUPAC name of [1-isocyano-1-(2-methylphenyl)ethoxy]-trimethylsilane (CID 134997060) is [1-isocyano-1-(2-methylphenyl)ethoxy]-trimethylsilane.
What is the SMILES notation for [1-isocyano-1-(2-methylphenyl)ethoxy]-trimethylsilane?
The canonical SMILES for [1-isocyano-1-(2-methylphenyl)ethoxy]-trimethylsilane is [C-]#[N+]C(C)(O[Si](C)(C)C)c1ccccc1C.
What is the InChIKey of [1-isocyano-1-(2-methylphenyl)ethoxy]-trimethylsilane?
The InChIKey is SHTDKOJFHADIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOSi/c1-11-9-7-8-10-12(11)13(2,14-3)15-16(4,5)6/h7-10H,1-2,4-6H3.
What are the key properties of [1-isocyano-1-(2-methylphenyl)ethoxy]-trimethylsilane?
[1-isocyano-1-(2-methylphenyl)ethoxy]-trimethylsilane has a molecular weight of 233.39 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-isocyano-1-(2-methylphenyl)ethoxy]-trimethylsilane is sourced from PubChem (CID 134997060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).