2-bromoethyl(2-trimethylsilylethyl)carbamic acid

C8H18BrNO2Si — CID 172697597

IUPAC2-bromoethyl(2-trimethylsilylethyl)carbamic acid
SMILESC[Si](C)(C)CCN(CCBr)C(=O)O
InChIInChI=1S/C8H18BrNO2Si/c1-13(2,3)7-6-10(5-4-9)8(11)12/h4-7H2,1-3H3,(H,11,12)
InChIKeyCNJHXDSRLXOFAN-UHFFFAOYSA-N
MW268.23 g/mol
LogP2.70
Rot. Bonds5

About 2-bromoethyl(2-trimethylsilylethyl)carbamic acid

2-bromoethyl(2-trimethylsilylethyl)carbamic acid (PubChem CID 172697597) has the molecular formula C8H18BrNO2Si and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-bromoethyl(2-trimethylsilylethyl)carbamic acid.

Molecular Properties

Compound Name2-bromoethyl(2-trimethylsilylethyl)carbamic acid
PubChem CID172697597
Molecular FormulaC8H18BrNO2Si
Molecular Weight268.23 g/mol
Exact Mass267.03
IUPAC Name2-bromoethyl(2-trimethylsilylethyl)carbamic acid
SMILESC[Si](C)(C)CCN(CCBr)C(=O)O
InChIInChI=1S/C8H18BrNO2Si/c1-13(2,3)7-6-10(5-4-9)8(11)12/h4-7H2,1-3H3,(H,11,12)
InChIKeyCNJHXDSRLXOFAN-UHFFFAOYSA-N
XLogP2.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromoethyl(2-trimethylsilylethyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromoethyl(butyl)carbamic acid
CID 87814426
3-bromopropyl(butyl)carbamic acid
CID 118525445
N-benzyl-N-(2-bromoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 80661970
2-bromoethyl(trimethyl)silane
CID 11665502
N-(2-bromoethyl)-N-propylacetamide
CID 80660131
N-(2-bromoethyl)-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
CID 80660169
3-[(2-aminoacetyl)-(2-bromoethyl)amino]propanoic acid;ethane
CID 169180843
5-bromo-2-(2-trimethylsilylethyl)pentanoic acid
CID 90845245
N-benzyl-N-(2-bromoethyl)-2-methylpyridine-3-carboxamide
CID 80661556
N-(2-bromoethyl)-N-butylacetamide
CID 80659482
N-(2-bromoethyl)-2-methyl-N-propylpyrazole-3-carboxamide
CID 80665546
hexyl(octadecyl)carbamic acid
CID 87702094

Frequently Asked Questions

What is the IUPAC name of 2-bromoethyl(2-trimethylsilylethyl)carbamic acid?
The IUPAC name of 2-bromoethyl(2-trimethylsilylethyl)carbamic acid (CID 172697597) is 2-bromoethyl(2-trimethylsilylethyl)carbamic acid.
What is the SMILES notation for 2-bromoethyl(2-trimethylsilylethyl)carbamic acid?
The canonical SMILES for 2-bromoethyl(2-trimethylsilylethyl)carbamic acid is C[Si](C)(C)CCN(CCBr)C(=O)O.
What is the InChIKey of 2-bromoethyl(2-trimethylsilylethyl)carbamic acid?
The InChIKey is CNJHXDSRLXOFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO2Si/c1-13(2,3)7-6-10(5-4-9)8(11)12/h4-7H2,1-3H3,(H,11,12).
What are the key properties of 2-bromoethyl(2-trimethylsilylethyl)carbamic acid?
2-bromoethyl(2-trimethylsilylethyl)carbamic acid has a molecular weight of 268.23 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl(2-trimethylsilylethyl)carbamic acid is sourced from PubChem (CID 172697597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).