benzyl-hydroxy-nitrosilane

C7H9NO3Si — CID 173324687

IUPACbenzyl-hydroxy-nitrosilane
SMILESO=[N+]([O-])[SiH](O)Cc1ccccc1
InChIInChI=1S/C7H9NO3Si/c9-8(10)12(11)6-7-4-2-1-3-5-7/h1-5,11-12H,6H2
InChIKeyUWOSJVANBKJEHH-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.26
Rot. Bonds3

About benzyl-hydroxy-nitrosilane

benzyl-hydroxy-nitrosilane (PubChem CID 173324687) has the molecular formula C7H9NO3Si and a molecular weight of 183.24 g/mol. Its IUPAC name is benzyl-hydroxy-nitrosilane.

Molecular Properties

Compound Namebenzyl-hydroxy-nitrosilane
PubChem CID173324687
Molecular FormulaC7H9NO3Si
Molecular Weight183.24 g/mol
Exact Mass183.04
IUPAC Namebenzyl-hydroxy-nitrosilane
SMILESO=[N+]([O-])[SiH](O)Cc1ccccc1
InChIInChI=1S/C7H9NO3Si/c9-8(10)12(11)6-7-4-2-1-3-5-7/h1-5,11-12H,6H2
InChIKeyUWOSJVANBKJEHH-UHFFFAOYSA-N
XLogP0.26
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.26
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

methanol;nitromethylbenzene
CID 175133147
[benzyl(carboxy)silyl]formic acid
CID 150898536
nitrobenzene;phenylmethanol
CID 160558550
nitro 2,3-dioxo-4-phenylbutanoate
CID 174507409
benzyl(nitro)silane
CID 154448614
phenylmethoxymethyl nitrate
CID 152715822
O-nitro 2-phenylethanethioate
CID 139654311
nitro 2-oxo-3-phenylpropanoate
CID 54202175
(nitrodisulfanyl)methylbenzene
CID 175313203
sodium;benzoic acid;nitrate
CID 157126281
benzyl nitrate;toluene
CID 175247849
benzene;nitro(phenyl)methanol
CID 174698323

Frequently Asked Questions

What is the IUPAC name of benzyl-hydroxy-nitrosilane?
The IUPAC name of benzyl-hydroxy-nitrosilane (CID 173324687) is benzyl-hydroxy-nitrosilane.
What is the SMILES notation for benzyl-hydroxy-nitrosilane?
The canonical SMILES for benzyl-hydroxy-nitrosilane is O=[N+]([O-])[SiH](O)Cc1ccccc1.
What is the InChIKey of benzyl-hydroxy-nitrosilane?
The InChIKey is UWOSJVANBKJEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3Si/c9-8(10)12(11)6-7-4-2-1-3-5-7/h1-5,11-12H,6H2.
What are the key properties of benzyl-hydroxy-nitrosilane?
benzyl-hydroxy-nitrosilane has a molecular weight of 183.24 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-hydroxy-nitrosilane is sourced from PubChem (CID 173324687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).