[5-(5-bromo-2-nitrophenyl)-2-methylpentan-2-yl]-hydroxy-dimethylsilane

C14H22BrNO3Si — CID 71072364

IUPAC[5-(5-bromo-2-nitrophenyl)-2-methylpentan-2-yl]-hydroxy-dimethylsilane
SMILESCC(C)(CCCc1cc(Br)ccc1[N+](=O)[O-])[Si](C)(C)O
InChIInChI=1S/C14H22BrNO3Si/c1-14(2,20(3,4)19)9-5-6-11-10-12(15)7-8-13(11)16(17)18/h7-8,10,19H,5-6,9H2,1-4H3
InChIKeyRQIOGSHIXNYSGY-UHFFFAOYSA-N
MW360.32 g/mol
LogP4.66
Rot. Bonds6

About [5-(5-bromo-2-nitrophenyl)-2-methylpentan-2-yl]-hydroxy-dimethylsilane

[5-(5-bromo-2-nitrophenyl)-2-methylpentan-2-yl]-hydroxy-dimethylsilane (PubChem CID 71072364) has the molecular formula C14H22BrNO3Si and a molecular weight of 360.32 g/mol. Its IUPAC name is [5-(5-bromo-2-nitrophenyl)-2-methylpentan-2-yl]-hydroxy-dimethylsilane.

Molecular Properties

Compound Name[5-(5-bromo-2-nitrophenyl)-2-methylpentan-2-yl]-hydroxy-dimethylsilane
PubChem CID71072364
Molecular FormulaC14H22BrNO3Si
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC Name[5-(5-bromo-2-nitrophenyl)-2-methylpentan-2-yl]-hydroxy-dimethylsilane
SMILESCC(C)(CCCc1cc(Br)ccc1[N+](=O)[O-])[Si](C)(C)O
InChIInChI=1S/C14H22BrNO3Si/c1-14(2,20(3,4)19)9-5-6-11-10-12(15)7-8-13(11)16(17)18/h7-8,10,19H,5-6,9H2,1-4H3
InChIKeyRQIOGSHIXNYSGY-UHFFFAOYSA-N
XLogP4.66
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-bromo-2-(3-methoxypropyl)-1-nitrobenzene
CID 158957657
methyl 4-(5-bromo-2-nitrophenyl)butanoate
CID 175900849
4-bromo-2-(3-methylbutyl)-1-nitrobenzene
CID 58195289
4-bromo-1-nitro-2-(2-phenylethyl)benzene
CID 58425619
3-(5-bromo-2-nitrophenyl)propanenitrile
CID 130898075
1-(5-bromo-2-nitrophenyl)-N,3,3-trimethylbutan-2-amine
CID 65342234
2-[(5-bromo-2-nitrophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851041
N-[(5-bromo-2-nitrophenyl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 113352179
2-[(5-bromo-2-nitrophenyl)methyl]pyridine
CID 158574043
1-(5-bromo-2-nitrophenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114955009
N-[(5-bromo-2-nitrophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114699069
5-[(5-bromo-2-nitrophenyl)methylamino]-2-methylphenol
CID 107700878

Frequently Asked Questions

What is the IUPAC name of [5-(5-bromo-2-nitrophenyl)-2-methylpentan-2-yl]-hydroxy-dimethylsilane?
The IUPAC name of [5-(5-bromo-2-nitrophenyl)-2-methylpentan-2-yl]-hydroxy-dimethylsilane (CID 71072364) is [5-(5-bromo-2-nitrophenyl)-2-methylpentan-2-yl]-hydroxy-dimethylsilane.
What is the SMILES notation for [5-(5-bromo-2-nitrophenyl)-2-methylpentan-2-yl]-hydroxy-dimethylsilane?
The canonical SMILES for [5-(5-bromo-2-nitrophenyl)-2-methylpentan-2-yl]-hydroxy-dimethylsilane is CC(C)(CCCc1cc(Br)ccc1[N+](=O)[O-])[Si](C)(C)O.
What is the InChIKey of [5-(5-bromo-2-nitrophenyl)-2-methylpentan-2-yl]-hydroxy-dimethylsilane?
The InChIKey is RQIOGSHIXNYSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO3Si/c1-14(2,20(3,4)19)9-5-6-11-10-12(15)7-8-13(11)16(17)18/h7-8,10,19H,5-6,9H2,1-4H3.
What are the key properties of [5-(5-bromo-2-nitrophenyl)-2-methylpentan-2-yl]-hydroxy-dimethylsilane?
[5-(5-bromo-2-nitrophenyl)-2-methylpentan-2-yl]-hydroxy-dimethylsilane has a molecular weight of 360.32 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-bromo-2-nitrophenyl)-2-methylpentan-2-yl]-hydroxy-dimethylsilane is sourced from PubChem (CID 71072364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).