dimethyl-[(4-nitrophenyl)methyl]stibane

C9H12NO2Sb — CID 87343420

IUPACdimethyl-[(4-nitrophenyl)methyl]stibane
SMILESC[Sb](C)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H6NO2.2CH3.Sb/c1-6-2-4-7(5-3-6)8(9)10;;;/h2-5H,1H2;2*1H3;
InChIKeyLIIFWODMEFAOAJ-UHFFFAOYSA-N
MW287.96 g/mol
LogP2.43
Rot. Bonds3

About dimethyl-[(4-nitrophenyl)methyl]stibane

dimethyl-[(4-nitrophenyl)methyl]stibane (PubChem CID 87343420) has the molecular formula C9H12NO2Sb and a molecular weight of 287.96 g/mol. Its IUPAC name is dimethyl-[(4-nitrophenyl)methyl]stibane.

Molecular Properties

Compound Namedimethyl-[(4-nitrophenyl)methyl]stibane
PubChem CID87343420
Molecular FormulaC9H12NO2Sb
Molecular Weight287.96 g/mol
Exact Mass286.99
IUPAC Namedimethyl-[(4-nitrophenyl)methyl]stibane
SMILESC[Sb](C)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H6NO2.2CH3.Sb/c1-6-2-4-7(5-3-6)8(9)10;;;/h2-5H,1H2;2*1H3;
InChIKeyLIIFWODMEFAOAJ-UHFFFAOYSA-N
XLogP2.43
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.96
LogP ≤ 52.43
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

azane;1-ethyl-4-nitrobenzene
CID 19043225
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
ethane;1-nitro-4-propylbenzene
CID 123575523
1,4-bis[(4-nitrophenyl)methylsulfanylmethyl]benzene
CID 10365975
1-ethyl-4-nitrobenzene;tungsten
CID 58858101
CID 86209983
CID 86209983
1-[[(S)-methylsulfinyl]methyl]-4-nitrobenzene
CID 135075556
dideuterio-(4-nitrophenyl)methanol
CID 10241023
potassium 2-(4-nitrophenyl)acetate
CID 15261201
CID 69274468
CID 69274468
bis[(4-nitrophenyl)methyl]-oxophosphanium
CID 22169102
triethyl-[(4-nitrophenyl)methyl]azanium
CID 13139181

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(4-nitrophenyl)methyl]stibane?
The IUPAC name of dimethyl-[(4-nitrophenyl)methyl]stibane (CID 87343420) is dimethyl-[(4-nitrophenyl)methyl]stibane.
What is the SMILES notation for dimethyl-[(4-nitrophenyl)methyl]stibane?
The canonical SMILES for dimethyl-[(4-nitrophenyl)methyl]stibane is C[Sb](C)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of dimethyl-[(4-nitrophenyl)methyl]stibane?
The InChIKey is LIIFWODMEFAOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6NO2.2CH3.Sb/c1-6-2-4-7(5-3-6)8(9)10;;;/h2-5H,1H2;2*1H3;.
What are the key properties of dimethyl-[(4-nitrophenyl)methyl]stibane?
dimethyl-[(4-nitrophenyl)methyl]stibane has a molecular weight of 287.96 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(4-nitrophenyl)methyl]stibane is sourced from PubChem (CID 87343420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).