(1-isocyano-1-phenylethoxy)-trimethylsilane

C12H17NOSi — CID 134997174

IUPAC(1-isocyano-1-phenylethoxy)-trimethylsilane
SMILES[C-]#[N+]C(C)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C12H17NOSi/c1-12(13-2,14-15(3,4)5)11-9-7-6-8-10-11/h6-10H,1,3-5H3
InChIKeyIKZVEJXZWGLPMM-UHFFFAOYSA-N
MW219.36 g/mol
LogP3.63
Rot. Bonds3

About (1-isocyano-1-phenylethoxy)-trimethylsilane

(1-isocyano-1-phenylethoxy)-trimethylsilane (PubChem CID 134997174) has the molecular formula C12H17NOSi and a molecular weight of 219.36 g/mol. Its IUPAC name is (1-isocyano-1-phenylethoxy)-trimethylsilane.

Molecular Properties

Compound Name(1-isocyano-1-phenylethoxy)-trimethylsilane
PubChem CID134997174
Molecular FormulaC12H17NOSi
Molecular Weight219.36 g/mol
Exact Mass219.11
IUPAC Name(1-isocyano-1-phenylethoxy)-trimethylsilane
SMILES[C-]#[N+]C(C)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C12H17NOSi/c1-12(13-2,14-15(3,4)5)11-9-7-6-8-10-11/h6-10H,1,3-5H3
InChIKeyIKZVEJXZWGLPMM-UHFFFAOYSA-N
XLogP3.63
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 53.63
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-Azido-1-phenylpropan-2-yl)oxy-trimethylsilane
CID 13330248
(1-Isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane
CID 58082217
(1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane
CID 59658168
1-[Tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethanamine
CID 176884904
Lithium 2-phenyl-2-trimethylsilyloxyacetonitrile
CID 11458501
(3-Isocyano-3-phenylpropoxy)-trimethylsilane
CID 86137494
tert-butyl-[(1R,2S)-2-isocyano-1-phenylpropoxy]-dimethylsilane
CID 134871100
2-(Dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile
CID 134927534
Lithium 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile
CID 134947291

Frequently Asked Questions

What is the IUPAC name of (1-isocyano-1-phenylethoxy)-trimethylsilane?
The IUPAC name of (1-isocyano-1-phenylethoxy)-trimethylsilane (CID 134997174) is (1-isocyano-1-phenylethoxy)-trimethylsilane.
What is the SMILES notation for (1-isocyano-1-phenylethoxy)-trimethylsilane?
The canonical SMILES for (1-isocyano-1-phenylethoxy)-trimethylsilane is [C-]#[N+]C(C)(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (1-isocyano-1-phenylethoxy)-trimethylsilane?
The InChIKey is IKZVEJXZWGLPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOSi/c1-12(13-2,14-15(3,4)5)11-9-7-6-8-10-11/h6-10H,1,3-5H3.
What are the key properties of (1-isocyano-1-phenylethoxy)-trimethylsilane?
(1-isocyano-1-phenylethoxy)-trimethylsilane has a molecular weight of 219.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isocyano-1-phenylethoxy)-trimethylsilane is sourced from PubChem (CID 134997174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).