(1-bromo-4,5,5-trimethylhexoxy)silane

C9H21BrOSi — CID 175273303

IUPAC(1-bromo-4,5,5-trimethylhexoxy)silane
SMILESCC(CCC(Br)O[SiH3])C(C)(C)C
InChIInChI=1S/C9H21BrOSi/c1-7(9(2,3)4)5-6-8(10)11-12/h7-8H,5-6H2,1-4,12H3
InChIKeyHVFGIGCXWWEXIV-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.47
Rot. Bonds4

About (1-bromo-4,5,5-trimethylhexoxy)silane

(1-bromo-4,5,5-trimethylhexoxy)silane (PubChem CID 175273303) has the molecular formula C9H21BrOSi and a molecular weight of 253.26 g/mol. Its IUPAC name is (1-bromo-4,5,5-trimethylhexoxy)silane.

Molecular Properties

Compound Name(1-bromo-4,5,5-trimethylhexoxy)silane
PubChem CID175273303
Molecular FormulaC9H21BrOSi
Molecular Weight253.26 g/mol
Exact Mass252.05
IUPAC Name(1-bromo-4,5,5-trimethylhexoxy)silane
SMILESCC(CCC(Br)O[SiH3])C(C)(C)C
InChIInChI=1S/C9H21BrOSi/c1-7(9(2,3)4)5-6-8(10)11-12/h7-8H,5-6H2,1-4,12H3
InChIKeyHVFGIGCXWWEXIV-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.47
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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Frequently Asked Questions

What is the IUPAC name of (1-bromo-4,5,5-trimethylhexoxy)silane?
The IUPAC name of (1-bromo-4,5,5-trimethylhexoxy)silane (CID 175273303) is (1-bromo-4,5,5-trimethylhexoxy)silane.
What is the SMILES notation for (1-bromo-4,5,5-trimethylhexoxy)silane?
The canonical SMILES for (1-bromo-4,5,5-trimethylhexoxy)silane is CC(CCC(Br)O[SiH3])C(C)(C)C.
What is the InChIKey of (1-bromo-4,5,5-trimethylhexoxy)silane?
The InChIKey is HVFGIGCXWWEXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BrOSi/c1-7(9(2,3)4)5-6-8(10)11-12/h7-8H,5-6H2,1-4,12H3.
What are the key properties of (1-bromo-4,5,5-trimethylhexoxy)silane?
(1-bromo-4,5,5-trimethylhexoxy)silane has a molecular weight of 253.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-4,5,5-trimethylhexoxy)silane is sourced from PubChem (CID 175273303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).