bromomethyl-dimethyl-(2-methylpentoxy)silane

C9H21BrOSi — CID 91723170

IUPACbromomethyl-dimethyl-(2-methylpentoxy)silane
SMILESCCCC(C)CO[Si](C)(C)CBr
InChIInChI=1S/C9H21BrOSi/c1-5-6-9(2)7-11-12(3,4)8-10/h9H,5-8H2,1-4H3
InChIKeyOKKRBKPMTPKSTI-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.58
Rot. Bonds6

About bromomethyl-dimethyl-(2-methylpentoxy)silane

bromomethyl-dimethyl-(2-methylpentoxy)silane (PubChem CID 91723170) has the molecular formula C9H21BrOSi and a molecular weight of 253.26 g/mol. Its IUPAC name is bromomethyl-dimethyl-(2-methylpentoxy)silane.

Molecular Properties

Compound Namebromomethyl-dimethyl-(2-methylpentoxy)silane
PubChem CID91723170
Molecular FormulaC9H21BrOSi
Molecular Weight253.26 g/mol
Exact Mass252.05
IUPAC Namebromomethyl-dimethyl-(2-methylpentoxy)silane
SMILESCCCC(C)CO[Si](C)(C)CBr
InChIInChI=1S/C9H21BrOSi/c1-5-6-9(2)7-11-12(3,4)8-10/h9H,5-8H2,1-4H3
InChIKeyOKKRBKPMTPKSTI-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bromomethyl-dimethyl-(2-methylpentoxy)silane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bromomethyl-dimethyl-(2-methylpentoxy)silane?
The IUPAC name of bromomethyl-dimethyl-(2-methylpentoxy)silane (CID 91723170) is bromomethyl-dimethyl-(2-methylpentoxy)silane.
What is the SMILES notation for bromomethyl-dimethyl-(2-methylpentoxy)silane?
The canonical SMILES for bromomethyl-dimethyl-(2-methylpentoxy)silane is CCCC(C)CO[Si](C)(C)CBr.
What is the InChIKey of bromomethyl-dimethyl-(2-methylpentoxy)silane?
The InChIKey is OKKRBKPMTPKSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BrOSi/c1-5-6-9(2)7-11-12(3,4)8-10/h9H,5-8H2,1-4H3.
What are the key properties of bromomethyl-dimethyl-(2-methylpentoxy)silane?
bromomethyl-dimethyl-(2-methylpentoxy)silane has a molecular weight of 253.26 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-dimethyl-(2-methylpentoxy)silane is sourced from PubChem (CID 91723170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).