bromomethyl-dimethyl-(4-methylpentan-2-yloxy)silane

C9H21BrOSi — CID 91697294

IUPACbromomethyl-dimethyl-(4-methylpentan-2-yloxy)silane
SMILESCC(C)CC(C)O[Si](C)(C)CBr
InChIInChI=1S/C9H21BrOSi/c1-8(2)6-9(3)11-12(4,5)7-10/h8-9H,6-7H2,1-5H3
InChIKeyRUFRFNVYSQPICT-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.58
Rot. Bonds5

About bromomethyl-dimethyl-(4-methylpentan-2-yloxy)silane

bromomethyl-dimethyl-(4-methylpentan-2-yloxy)silane (PubChem CID 91697294) has the molecular formula C9H21BrOSi and a molecular weight of 253.26 g/mol. Its IUPAC name is bromomethyl-dimethyl-(4-methylpentan-2-yloxy)silane.

Molecular Properties

Compound Namebromomethyl-dimethyl-(4-methylpentan-2-yloxy)silane
PubChem CID91697294
Molecular FormulaC9H21BrOSi
Molecular Weight253.26 g/mol
Exact Mass252.05
IUPAC Namebromomethyl-dimethyl-(4-methylpentan-2-yloxy)silane
SMILESCC(C)CC(C)O[Si](C)(C)CBr
InChIInChI=1S/C9H21BrOSi/c1-8(2)6-9(3)11-12(4,5)7-10/h8-9H,6-7H2,1-5H3
InChIKeyRUFRFNVYSQPICT-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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'}

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Related Compounds

4-Methyl-2-pentanol, TMS derivative
CID 13860854
(1-Isopropyl-2-methylpropoxy)trimethylsilane
CID 10867116
DL-3-Methyl-2-butanol, bromomethyldimethylsilyl ether
CID 91697279
2-Methyl-3-pentanol, TMS derivative
CID 91714401
2-Pentanol, bromomethyldimethylsilyl ether
CID 91718985
3-Methyl-1-butanol, bromomethyldimethylsilyl ether
CID 91718989
2-Methyl-1-pentanol, bromomethyldimethylsilyl ether
CID 91723170
2-Ethyl-1-butanol, bromomethyldimethylsilyl ether
CID 91723171
Silane, dimethyl(4-methylpent-2-yloxy)propoxy-
CID 91723692
Silane, dimethyl(4-methylpent-2-yloxy)isobutoxy-
CID 91726676
Silane, dimethyl(4-methylpent-2-yloxy)butoxy-
CID 91726706
Silane, dimethyl(2-methylpent-3-yloxy)butoxy-
CID 91730325

Frequently Asked Questions

What is the IUPAC name of bromomethyl-dimethyl-(4-methylpentan-2-yloxy)silane?
The IUPAC name of bromomethyl-dimethyl-(4-methylpentan-2-yloxy)silane (CID 91697294) is bromomethyl-dimethyl-(4-methylpentan-2-yloxy)silane.
What is the SMILES notation for bromomethyl-dimethyl-(4-methylpentan-2-yloxy)silane?
The canonical SMILES for bromomethyl-dimethyl-(4-methylpentan-2-yloxy)silane is CC(C)CC(C)O[Si](C)(C)CBr.
What is the InChIKey of bromomethyl-dimethyl-(4-methylpentan-2-yloxy)silane?
The InChIKey is RUFRFNVYSQPICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BrOSi/c1-8(2)6-9(3)11-12(4,5)7-10/h8-9H,6-7H2,1-5H3.
What are the key properties of bromomethyl-dimethyl-(4-methylpentan-2-yloxy)silane?
bromomethyl-dimethyl-(4-methylpentan-2-yloxy)silane has a molecular weight of 253.26 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-dimethyl-(4-methylpentan-2-yloxy)silane is sourced from PubChem (CID 91697294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).