benzene;1-trimethylsilylethylcarbamic acid

C12H21NO2Si — CID 67124326

IUPACbenzene;1-trimethylsilylethylcarbamic acid
SMILESCC(NC(=O)O)[Si](C)(C)C.c1ccccc1
InChIInChI=1S/C6H15NO2Si.C6H6/c1-5(7-6(8)9)10(2,3)4;1-2-4-6-5-3-1/h5,7H,1-4H3,(H,8,9);1-6H
InChIKeyWXQFGVDZNPQQJF-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.21
Rot. Bonds2

About benzene;1-trimethylsilylethylcarbamic acid

benzene;1-trimethylsilylethylcarbamic acid (PubChem CID 67124326) has the molecular formula C12H21NO2Si and a molecular weight of 239.39 g/mol. Its IUPAC name is benzene;1-trimethylsilylethylcarbamic acid.

Molecular Properties

Compound Namebenzene;1-trimethylsilylethylcarbamic acid
PubChem CID67124326
Molecular FormulaC12H21NO2Si
Molecular Weight239.39 g/mol
Exact Mass239.13
IUPAC Namebenzene;1-trimethylsilylethylcarbamic acid
SMILESCC(NC(=O)O)[Si](C)(C)C.c1ccccc1
InChIInChI=1S/C6H15NO2Si.C6H6/c1-5(7-6(8)9)10(2,3)4;1-2-4-6-5-3-1/h5,7H,1-4H3,(H,8,9);1-6H
InChIKeyWXQFGVDZNPQQJF-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene;1-trimethylsilylethylcarbamic acid?
The IUPAC name of benzene;1-trimethylsilylethylcarbamic acid (CID 67124326) is benzene;1-trimethylsilylethylcarbamic acid.
What is the SMILES notation for benzene;1-trimethylsilylethylcarbamic acid?
The canonical SMILES for benzene;1-trimethylsilylethylcarbamic acid is CC(NC(=O)O)[Si](C)(C)C.c1ccccc1.
What is the InChIKey of benzene;1-trimethylsilylethylcarbamic acid?
The InChIKey is WXQFGVDZNPQQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2Si.C6H6/c1-5(7-6(8)9)10(2,3)4;1-2-4-6-5-3-1/h5,7H,1-4H3,(H,8,9);1-6H.
What are the key properties of benzene;1-trimethylsilylethylcarbamic acid?
benzene;1-trimethylsilylethylcarbamic acid has a molecular weight of 239.39 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-trimethylsilylethylcarbamic acid is sourced from PubChem (CID 67124326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).