dimethyl-[3-methyl-4-(2-nitrophenyl)selanylbutan-2-yl]-phenylsilane

C19H25NO2SeSi — CID 135049500

IUPACdimethyl-[3-methyl-4-(2-nitrophenyl)selanylbutan-2-yl]-phenylsilane
SMILESCC(C[Se]c1ccccc1[N+](=O)[O-])C(C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H25NO2SeSi/c1-15(14-23-19-13-9-8-12-18(19)20(21)22)16(2)24(3,4)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3
InChIKeyWJGPKBFPKDKZHN-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.98
Rot. Bonds7

About dimethyl-[3-methyl-4-(2-nitrophenyl)selanylbutan-2-yl]-phenylsilane

dimethyl-[3-methyl-4-(2-nitrophenyl)selanylbutan-2-yl]-phenylsilane (PubChem CID 135049500) has the molecular formula C19H25NO2SeSi and a molecular weight of 406.46 g/mol. Its IUPAC name is dimethyl-[3-methyl-4-(2-nitrophenyl)selanylbutan-2-yl]-phenylsilane.

Molecular Properties

Compound Namedimethyl-[3-methyl-4-(2-nitrophenyl)selanylbutan-2-yl]-phenylsilane
PubChem CID135049500
Molecular FormulaC19H25NO2SeSi
Molecular Weight406.46 g/mol
Exact Mass407.08
IUPAC Namedimethyl-[3-methyl-4-(2-nitrophenyl)selanylbutan-2-yl]-phenylsilane
SMILESCC(C[Se]c1ccccc1[N+](=O)[O-])C(C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H25NO2SeSi/c1-15(14-23-19-13-9-8-12-18(19)20(21)22)16(2)24(3,4)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3
InChIKeyWJGPKBFPKDKZHN-UHFFFAOYSA-N
XLogP3.98
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.98
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

1-hydroxyselanyl-2-nitrobenzene
CID 15565401
(2-nitrophenyl) selenohypochlorite
CID 71359588
(3R,5R,6S)-6,10-dimethyl-3-[(2S)-1-(2-nitrophenyl)selanylpropan-2-yl]spiro[4.5]dec-9-ene
CID 11384213
N-methyl-N-(2-nitrophenyl)selanylmethanamine
CID 14947914
(2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane
CID 18696391
1-benzylsulfanylselanyl-2-nitrobenzene
CID 101025159
1-(4-chloro-3-methylpentyl)-2-nitrobenzene
CID 63062823
bis[(2-nitrophenyl)methoxy]-diphenylsilane
CID 22342274
trimethyl-[4-(2-nitrophenyl)but-2-ynyl]silane
CID 166438593
(2S)-4-(2-nitrophenyl)butan-2-amine
CID 93264337
1-(2,2-dimethoxyethyl)-2-nitrobenzene
CID 10330783
2,3-dimethyl-2-[2-(2-nitrophenyl)ethyl]butanoic acid
CID 83147925

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-methyl-4-(2-nitrophenyl)selanylbutan-2-yl]-phenylsilane?
The IUPAC name of dimethyl-[3-methyl-4-(2-nitrophenyl)selanylbutan-2-yl]-phenylsilane (CID 135049500) is dimethyl-[3-methyl-4-(2-nitrophenyl)selanylbutan-2-yl]-phenylsilane.
What is the SMILES notation for dimethyl-[3-methyl-4-(2-nitrophenyl)selanylbutan-2-yl]-phenylsilane?
The canonical SMILES for dimethyl-[3-methyl-4-(2-nitrophenyl)selanylbutan-2-yl]-phenylsilane is CC(C[Se]c1ccccc1[N+](=O)[O-])C(C)[Si](C)(C)c1ccccc1.
What is the InChIKey of dimethyl-[3-methyl-4-(2-nitrophenyl)selanylbutan-2-yl]-phenylsilane?
The InChIKey is WJGPKBFPKDKZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2SeSi/c1-15(14-23-19-13-9-8-12-18(19)20(21)22)16(2)24(3,4)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3.
What are the key properties of dimethyl-[3-methyl-4-(2-nitrophenyl)selanylbutan-2-yl]-phenylsilane?
dimethyl-[3-methyl-4-(2-nitrophenyl)selanylbutan-2-yl]-phenylsilane has a molecular weight of 406.46 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-methyl-4-(2-nitrophenyl)selanylbutan-2-yl]-phenylsilane is sourced from PubChem (CID 135049500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).