(2,4-dinitrophenyl)methyl-triethoxysilane

C13H20N2O7Si — CID 57070955

IUPAC(2,4-dinitrophenyl)methyl-triethoxysilane
SMILESCCO[Si](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(OCC)OCC
InChIInChI=1S/C13H20N2O7Si/c1-4-20-23(21-5-2,22-6-3)10-11-7-8-12(14(16)17)9-13(11)15(18)19/h7-9H,4-6,10H2,1-3H3
InChIKeyFSRPJHQDUAAPBN-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.63
Rot. Bonds10

About (2,4-dinitrophenyl)methyl-triethoxysilane

(2,4-dinitrophenyl)methyl-triethoxysilane (PubChem CID 57070955) has the molecular formula C13H20N2O7Si and a molecular weight of 344.40 g/mol. Its IUPAC name is (2,4-dinitrophenyl)methyl-triethoxysilane.

Molecular Properties

Compound Name(2,4-dinitrophenyl)methyl-triethoxysilane
PubChem CID57070955
Molecular FormulaC13H20N2O7Si
Molecular Weight344.40 g/mol
Exact Mass344.10
IUPAC Name(2,4-dinitrophenyl)methyl-triethoxysilane
SMILESCCO[Si](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(OCC)OCC
InChIInChI=1S/C13H20N2O7Si/c1-4-20-23(21-5-2,22-6-3)10-11-7-8-12(14(16)17)9-13(11)15(18)19/h7-9H,4-6,10H2,1-3H3
InChIKeyFSRPJHQDUAAPBN-UHFFFAOYSA-N
XLogP2.63
TPSA113.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

2,4-dinitro-N-(1-triethoxysilylpropan-2-yl)aniline
CID 88923083
2-(2,4-dinitrophenyl)acetic acid;ethyl 2-(2,4-dinitrophenyl)acetate
CID 173386473
1-(methylsulfanylmethyl)-2,4-dinitrobenzene
CID 20768719
1-(2-fluoroethyl)-2,4-dinitrobenzene
CID 14809005
1-(3-chloropentyl)-2,4-dinitrobenzene
CID 66221149
N-[(2,4-dinitrophenyl)methyl]-3-methylpentan-2-amine
CID 66223705
2-(2,4-dinitrophenyl)acetonitrile
CID 5129344
4-(2,4-dinitrophenyl)butan-2-one
CID 66223072
1-[4-[4-(2,4-dinitrophenyl)butoxy]butyl]-2,4-dinitrobenzene
CID 140975215
4-(2,4-dinitrophenyl)butan-2-ol
CID 66223081
(NZ)-N-[1-(2,4-dinitrophenyl)propan-2-ylidene]hydroxylamine
CID 5355471
N-[(2,4-dinitrophenyl)methyl]butan-2-amine
CID 66223271

Frequently Asked Questions

What is the IUPAC name of (2,4-dinitrophenyl)methyl-triethoxysilane?
The IUPAC name of (2,4-dinitrophenyl)methyl-triethoxysilane (CID 57070955) is (2,4-dinitrophenyl)methyl-triethoxysilane.
What is the SMILES notation for (2,4-dinitrophenyl)methyl-triethoxysilane?
The canonical SMILES for (2,4-dinitrophenyl)methyl-triethoxysilane is CCO[Si](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(OCC)OCC.
What is the InChIKey of (2,4-dinitrophenyl)methyl-triethoxysilane?
The InChIKey is FSRPJHQDUAAPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O7Si/c1-4-20-23(21-5-2,22-6-3)10-11-7-8-12(14(16)17)9-13(11)15(18)19/h7-9H,4-6,10H2,1-3H3.
What are the key properties of (2,4-dinitrophenyl)methyl-triethoxysilane?
(2,4-dinitrophenyl)methyl-triethoxysilane has a molecular weight of 344.40 g/mol, XLogP of 2.63, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dinitrophenyl)methyl-triethoxysilane is sourced from PubChem (CID 57070955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).