benzyl-[(3,5-dinitrophenyl)methoxy]-dimethylsilane

C16H18N2O5Si — CID 91737520

IUPACbenzyl-[(3,5-dinitrophenyl)methoxy]-dimethylsilane
SMILESC[Si](C)(Cc1ccccc1)OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C16H18N2O5Si/c1-24(2,12-13-6-4-3-5-7-13)23-11-14-8-15(17(19)20)10-16(9-14)18(21)22/h3-10H,11-12H2,1-2H3
InChIKeyHBTOAUWRLJJLSL-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.01
Rot. Bonds7

About benzyl-[(3,5-dinitrophenyl)methoxy]-dimethylsilane

benzyl-[(3,5-dinitrophenyl)methoxy]-dimethylsilane (PubChem CID 91737520) has the molecular formula C16H18N2O5Si and a molecular weight of 346.42 g/mol. Its IUPAC name is benzyl-[(3,5-dinitrophenyl)methoxy]-dimethylsilane.

Molecular Properties

Compound Namebenzyl-[(3,5-dinitrophenyl)methoxy]-dimethylsilane
PubChem CID91737520
Molecular FormulaC16H18N2O5Si
Molecular Weight346.42 g/mol
Exact Mass346.10
IUPAC Namebenzyl-[(3,5-dinitrophenyl)methoxy]-dimethylsilane
SMILESC[Si](C)(Cc1ccccc1)OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C16H18N2O5Si/c1-24(2,12-13-6-4-3-5-7-13)23-11-14-8-15(17(19)20)10-16(9-14)18(21)22/h3-10H,11-12H2,1-2H3
InChIKeyHBTOAUWRLJJLSL-UHFFFAOYSA-N
XLogP4.01
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

N,N-dibenzyl-3,5-dinitroaniline
CID 7237184
O-[(3,5-dinitrophenyl)methyl]hydroxylamine
CID 5191653
(2R)-2-[(3,5-dinitrophenyl)methoxycarbonylamino]-3-phenylpropanoic acid
CID 102509784
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514
1,3-dinitrobenzene;2-phenylethylbenzene
CID 174564688
N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-nitrophenyl]acetamide
CID 139075343
(3,5-dinitrophenyl)methyl pyridine-3-carboxylate
CID 88940674
benzyl-[3-[benzyl(dimethyl)silyl]oxy-2,2-dimethylpropoxy]-dimethylsilane
CID 69305506
1-nitro-3-[(4-phenylphenoxy)methyl]benzene
CID 58287787
benzyl-[2-(2-methoxyethoxy)ethoxy]-dimethylsilane
CID 91694228
3,5-dinitrobenzoic acid;(2R)-2-phenylmethoxypropan-1-ol
CID 71407886
4-O-benzyl 1-O-[(3,5-dinitrophenyl)methyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 177069182

Frequently Asked Questions

What is the IUPAC name of benzyl-[(3,5-dinitrophenyl)methoxy]-dimethylsilane?
The IUPAC name of benzyl-[(3,5-dinitrophenyl)methoxy]-dimethylsilane (CID 91737520) is benzyl-[(3,5-dinitrophenyl)methoxy]-dimethylsilane.
What is the SMILES notation for benzyl-[(3,5-dinitrophenyl)methoxy]-dimethylsilane?
The canonical SMILES for benzyl-[(3,5-dinitrophenyl)methoxy]-dimethylsilane is C[Si](C)(Cc1ccccc1)OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of benzyl-[(3,5-dinitrophenyl)methoxy]-dimethylsilane?
The InChIKey is HBTOAUWRLJJLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5Si/c1-24(2,12-13-6-4-3-5-7-13)23-11-14-8-15(17(19)20)10-16(9-14)18(21)22/h3-10H,11-12H2,1-2H3.
What are the key properties of benzyl-[(3,5-dinitrophenyl)methoxy]-dimethylsilane?
benzyl-[(3,5-dinitrophenyl)methoxy]-dimethylsilane has a molecular weight of 346.42 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(3,5-dinitrophenyl)methoxy]-dimethylsilane is sourced from PubChem (CID 91737520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).