trimethyl-(3-nitro-2-phenylpropyl)silane

C12H19NO2Si — CID 15526873

IUPACtrimethyl-(3-nitro-2-phenylpropyl)silane
SMILESC[Si](C)(C)CC(C[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C12H19NO2Si/c1-16(2,3)10-12(9-13(14)15)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyPYPWCTPVULKIEG-UHFFFAOYSA-N
MW237.38 g/mol
LogP3.39
Rot. Bonds5

About trimethyl-(3-nitro-2-phenylpropyl)silane

trimethyl-(3-nitro-2-phenylpropyl)silane (PubChem CID 15526873) has the molecular formula C12H19NO2Si and a molecular weight of 237.38 g/mol. Its IUPAC name is trimethyl-(3-nitro-2-phenylpropyl)silane.

Molecular Properties

Compound Nametrimethyl-(3-nitro-2-phenylpropyl)silane
PubChem CID15526873
Molecular FormulaC12H19NO2Si
Molecular Weight237.38 g/mol
Exact Mass237.12
IUPAC Nametrimethyl-(3-nitro-2-phenylpropyl)silane
SMILESC[Si](C)(C)CC(C[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C12H19NO2Si/c1-16(2,3)10-12(9-13(14)15)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyPYPWCTPVULKIEG-UHFFFAOYSA-N
XLogP3.39
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-4-nitro-3-phenylbutanoic acid
CID 26339937
4-nitro-3-phenylbutanal
CID 75046041
(2-nitro-1-phenylethyl)benzene
CID 11521460
(5R)-6-nitro-5-phenylhexan-3-one
CID 16720921
2-(3-nitro-2-phenylpropyl)chromen-4-one
CID 135022880
(5R)-6-nitro-1,5-diphenylhexan-3-one
CID 132837349
CID 134833437
CID 134833437
1,4-diphenyl-5-trimethylsilylpentan-1-one
CID 102209299
(4S)-1-[tert-butyl(dimethyl)silyl]oxy-5-nitro-4-phenylpentan-2-one
CID 135000820
[(1R)-1-chloro-2-nitroethyl]benzene
CID 164680326
1-(2-methylphenyl)-4-nitro-3-phenylbutan-1-one
CID 72747344
2-(3-nitro-2-phenylpropyl)quinoline
CID 102447454

Frequently Asked Questions

What is the IUPAC name of trimethyl-(3-nitro-2-phenylpropyl)silane?
The IUPAC name of trimethyl-(3-nitro-2-phenylpropyl)silane (CID 15526873) is trimethyl-(3-nitro-2-phenylpropyl)silane.
What is the SMILES notation for trimethyl-(3-nitro-2-phenylpropyl)silane?
The canonical SMILES for trimethyl-(3-nitro-2-phenylpropyl)silane is C[Si](C)(C)CC(C[N+](=O)[O-])c1ccccc1.
What is the InChIKey of trimethyl-(3-nitro-2-phenylpropyl)silane?
The InChIKey is PYPWCTPVULKIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2Si/c1-16(2,3)10-12(9-13(14)15)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3.
What are the key properties of trimethyl-(3-nitro-2-phenylpropyl)silane?
trimethyl-(3-nitro-2-phenylpropyl)silane has a molecular weight of 237.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(3-nitro-2-phenylpropyl)silane is sourced from PubChem (CID 15526873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).