[4-(bromomethyl)cyclohexyl]oxy-tert-butyl-dimethylsilane

C13H27BrOSi — CID 140831833

IUPAC[4-(bromomethyl)cyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CBr)CC1
InChIInChI=1S/C13H27BrOSi/c1-13(2,3)16(4,5)15-12-8-6-11(10-14)7-9-12/h11-12H,6-10H2,1-5H3
InChIKeyUVNGYVXHLCEVCY-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.96
Rot. Bonds3

About [4-(bromomethyl)cyclohexyl]oxy-tert-butyl-dimethylsilane

[4-(bromomethyl)cyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 140831833) has the molecular formula C13H27BrOSi and a molecular weight of 307.35 g/mol. Its IUPAC name is [4-(bromomethyl)cyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[4-(bromomethyl)cyclohexyl]oxy-tert-butyl-dimethylsilane
PubChem CID140831833
Molecular FormulaC13H27BrOSi
Molecular Weight307.35 g/mol
Exact Mass306.10
IUPAC Name[4-(bromomethyl)cyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CBr)CC1
InChIInChI=1S/C13H27BrOSi/c1-13(2,3)16(4,5)15-12-8-6-11(10-14)7-9-12/h11-12H,6-10H2,1-5H3
InChIKeyUVNGYVXHLCEVCY-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.96
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 [4-(bromomethyl)cyclohexyl]oxy-tert-butyl-dimethylsilane 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 [4-(bromomethyl)cyclohexyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [4-(bromomethyl)cyclohexyl]oxy-tert-butyl-dimethylsilane (CID 140831833) is [4-(bromomethyl)cyclohexyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [4-(bromomethyl)cyclohexyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [4-(bromomethyl)cyclohexyl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCC(CBr)CC1.
What is the InChIKey of [4-(bromomethyl)cyclohexyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is UVNGYVXHLCEVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27BrOSi/c1-13(2,3)16(4,5)15-12-8-6-11(10-14)7-9-12/h11-12H,6-10H2,1-5H3.
What are the key properties of [4-(bromomethyl)cyclohexyl]oxy-tert-butyl-dimethylsilane?
[4-(bromomethyl)cyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 307.35 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)cyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 140831833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).