(3-isocyano-3-phenylpropoxy)-trimethylsilane

C13H19NOSi — CID 86137494

IUPAC(3-isocyano-3-phenylpropoxy)-trimethylsilane
SMILES[C-]#[N+]C(CCO[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C13H19NOSi/c1-14-13(10-11-15-16(2,3)4)12-8-6-5-7-9-12/h5-9,13H,10-11H2,2-4H3
InChIKeyMIOFELRGNWPBKQ-UHFFFAOYSA-N
MW233.39 g/mol
LogP3.89
Rot. Bonds5

About (3-isocyano-3-phenylpropoxy)-trimethylsilane

(3-isocyano-3-phenylpropoxy)-trimethylsilane (PubChem CID 86137494) has the molecular formula C13H19NOSi and a molecular weight of 233.39 g/mol. Its IUPAC name is (3-isocyano-3-phenylpropoxy)-trimethylsilane.

Molecular Properties

Compound Name(3-isocyano-3-phenylpropoxy)-trimethylsilane
PubChem CID86137494
Molecular FormulaC13H19NOSi
Molecular Weight233.39 g/mol
Exact Mass233.12
IUPAC Name(3-isocyano-3-phenylpropoxy)-trimethylsilane
SMILES[C-]#[N+]C(CCO[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C13H19NOSi/c1-14-13(10-11-15-16(2,3)4)12-8-6-5-7-9-12/h5-9,13H,10-11H2,2-4H3
InChIKeyMIOFELRGNWPBKQ-UHFFFAOYSA-N
XLogP3.89
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.39
LogP ≤ 53.89
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

(r)-2-[(t-Butyldimethylsilyl) oxy]-1-phenyl-ethan-1-amine
CID 11791653
[(2S)-2-amino-2-phenylethoxy](tert-butyl)dimethylsilane
CID 14335550
Silane, (2-azido-2-phenylethoxy)trimethyl-
CID 10900605
2-[Tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
(1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine
CID 11666148
3-[Tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine
CID 11694624
3-[Tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)propan-1-amine
CID 58548890
3-[Tert-butyl(dimethyl)silyl]oxy-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 58548915
2-[Tert-butyl(dimethyl)silyl]oxy-1-(4-fluorophenyl)ethanamine
CID 59527969
(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine
CID 68291199
(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)propan-1-amine
CID 68292481
(S)-3-(tert-butyldimethylsilanyloxy)-1-(2-fluorophenyl)propylamine
CID 68292582

Frequently Asked Questions

What is the IUPAC name of (3-isocyano-3-phenylpropoxy)-trimethylsilane?
The IUPAC name of (3-isocyano-3-phenylpropoxy)-trimethylsilane (CID 86137494) is (3-isocyano-3-phenylpropoxy)-trimethylsilane.
What is the SMILES notation for (3-isocyano-3-phenylpropoxy)-trimethylsilane?
The canonical SMILES for (3-isocyano-3-phenylpropoxy)-trimethylsilane is [C-]#[N+]C(CCO[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (3-isocyano-3-phenylpropoxy)-trimethylsilane?
The InChIKey is MIOFELRGNWPBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOSi/c1-14-13(10-11-15-16(2,3)4)12-8-6-5-7-9-12/h5-9,13H,10-11H2,2-4H3.
What are the key properties of (3-isocyano-3-phenylpropoxy)-trimethylsilane?
(3-isocyano-3-phenylpropoxy)-trimethylsilane has a molecular weight of 233.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-isocyano-3-phenylpropoxy)-trimethylsilane is sourced from PubChem (CID 86137494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).