(1-isocyano-1-phenylpropoxy)-trimethylsilane

C13H19NOSi — CID 134996939

IUPAC(1-isocyano-1-phenylpropoxy)-trimethylsilane
SMILES[C-]#[N+]C(CC)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C13H19NOSi/c1-6-13(14-2,15-16(3,4)5)12-10-8-7-9-11-12/h7-11H,6H2,1,3-5H3
InChIKeyXKCPCEMHKZINEP-UHFFFAOYSA-N
MW233.39 g/mol
LogP4.02
Rot. Bonds4

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

(1-isocyano-1-phenylpropoxy)-trimethylsilane (PubChem CID 134996939) has the molecular formula C13H19NOSi and a molecular weight of 233.39 g/mol. Its IUPAC name is (1-isocyano-1-phenylpropoxy)-trimethylsilane.

Molecular Properties

Compound Name(1-isocyano-1-phenylpropoxy)-trimethylsilane
PubChem CID134996939
Molecular FormulaC13H19NOSi
Molecular Weight233.39 g/mol
Exact Mass233.12
IUPAC Name(1-isocyano-1-phenylpropoxy)-trimethylsilane
SMILES[C-]#[N+]C(CC)(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C13H19NOSi/c1-6-13(14-2,15-16(3,4)5)12-10-8-7-9-11-12/h7-11H,6H2,1,3-5H3
InChIKeyXKCPCEMHKZINEP-UHFFFAOYSA-N
XLogP4.02
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.39
LogP ≤ 54.02
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-phenylpropoxy)-trimethylsilane?
The IUPAC name of (1-isocyano-1-phenylpropoxy)-trimethylsilane (CID 134996939) is (1-isocyano-1-phenylpropoxy)-trimethylsilane.
What is the SMILES notation for (1-isocyano-1-phenylpropoxy)-trimethylsilane?
The canonical SMILES for (1-isocyano-1-phenylpropoxy)-trimethylsilane is [C-]#[N+]C(CC)(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (1-isocyano-1-phenylpropoxy)-trimethylsilane?
The InChIKey is XKCPCEMHKZINEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOSi/c1-6-13(14-2,15-16(3,4)5)12-10-8-7-9-11-12/h7-11H,6H2,1,3-5H3.
What are the key properties of (1-isocyano-1-phenylpropoxy)-trimethylsilane?
(1-isocyano-1-phenylpropoxy)-trimethylsilane has a molecular weight of 233.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isocyano-1-phenylpropoxy)-trimethylsilane is sourced from PubChem (CID 134996939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).