(1-isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane

C14H21NOSi — CID 134996943

IUPAC(1-isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane
SMILES[C-]#[N+]C(O[Si](C)(C)C)(c1ccccc1)C(C)C
InChIInChI=1S/C14H21NOSi/c1-12(2)14(15-3,16-17(4,5)6)13-10-8-7-9-11-13/h7-12H,1-2,4-6H3
InChIKeyOHHYTBKAZFPOFG-UHFFFAOYSA-N
MW247.41 g/mol
LogP4.27
Rot. Bonds4

About (1-isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane

(1-isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane (PubChem CID 134996943) has the molecular formula C14H21NOSi and a molecular weight of 247.41 g/mol. Its IUPAC name is (1-isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane.

Molecular Properties

Compound Name(1-isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane
PubChem CID134996943
Molecular FormulaC14H21NOSi
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name(1-isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane
SMILES[C-]#[N+]C(O[Si](C)(C)C)(c1ccccc1)C(C)C
InChIInChI=1S/C14H21NOSi/c1-12(2)14(15-3,16-17(4,5)6)13-10-8-7-9-11-13/h7-12H,1-2,4-6H3
InChIKeyOHHYTBKAZFPOFG-UHFFFAOYSA-N
XLogP4.27
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.27
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
(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
3-Methyl-2-phenyl-2-trimethylsilyloxybutanenitrile
CID 12492620
(2S)-3-methyl-2-phenyl-2-trimethylsilyloxybutanenitrile
CID 100941411
tert-butyl-[(1R,2S)-2-isocyano-1-phenylpropoxy]-dimethylsilane
CID 134871100
2-(Dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile
CID 134927534
2-(Dimethylamino)-2-(4-methylphenyl)-2-trimethylsilyloxyacetonitrile
CID 134994048
[1-(4-Chlorophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134996938

Frequently Asked Questions

What is the IUPAC name of (1-isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane?
The IUPAC name of (1-isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane (CID 134996943) is (1-isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane.
What is the SMILES notation for (1-isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane?
The canonical SMILES for (1-isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane is [C-]#[N+]C(O[Si](C)(C)C)(c1ccccc1)C(C)C.
What is the InChIKey of (1-isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane?
The InChIKey is OHHYTBKAZFPOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOSi/c1-12(2)14(15-3,16-17(4,5)6)13-10-8-7-9-11-13/h7-12H,1-2,4-6H3.
What are the key properties of (1-isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane?
(1-isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane has a molecular weight of 247.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane is sourced from PubChem (CID 134996943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).