3-bromopropyl(3-methylpentan-3-yloxy)silane

C9H21BrOSi — CID 174788616

IUPAC3-bromopropyl(3-methylpentan-3-yloxy)silane
SMILESCCC(C)(CC)O[SiH2]CCCBr
InChIInChI=1S/C9H21BrOSi/c1-4-9(3,5-2)11-12-8-6-7-10/h4-8,12H2,1-3H3
InChIKeyUFPHDGGPLMXNGJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.87
Rot. Bonds7

About 3-bromopropyl(3-methylpentan-3-yloxy)silane

3-bromopropyl(3-methylpentan-3-yloxy)silane (PubChem CID 174788616) has the molecular formula C9H21BrOSi and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-bromopropyl(3-methylpentan-3-yloxy)silane.

Molecular Properties

Compound Name3-bromopropyl(3-methylpentan-3-yloxy)silane
PubChem CID174788616
Molecular FormulaC9H21BrOSi
Molecular Weight253.26 g/mol
Exact Mass252.05
IUPAC Name3-bromopropyl(3-methylpentan-3-yloxy)silane
SMILESCCC(C)(CC)O[SiH2]CCCBr
InChIInChI=1S/C9H21BrOSi/c1-4-9(3,5-2)11-12-8-6-7-10/h4-8,12H2,1-3H3
InChIKeyUFPHDGGPLMXNGJ-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-methylpentan-3-yloxysilyl)propyl]ethanimine
CID 173056021
3-bromopropyl(1,1-diethoxyethyl)silane
CID 173419111
(2-methylpropan-2-yl)oxy-undecylsilane
CID 174595144
(2-methylpropan-2-yl)oxy-[6-[(2-methylpropan-2-yl)oxysilyl]hexan-2-yl]silane
CID 173083933
bis(3-methylpentan-3-yl) hexanedioate
CID 141267007
3-methyl-3-(3-methylpentan-3-ylperoxy)pentane
CID 19875132
trimethyl-(2-methyl-2-octylsilyloxypropyl)azanium
CID 154462571
2-bromopropan-2-yl 4-methoxysilylbutanoate
CID 174147608
3-[ethyl-[3-[(2-methylpropan-2-yl)oxysilyl]propyl]amino]propanoic acid
CID 173464158
1-(6-bromohexoxy)-4-(2-methylbutan-2-yl)benzene
CID 154085988
(4R)-1-bromo-4-methylheptane
CID 101151528
1-bromo-16,16-diethyloctadecane
CID 141121710

Frequently Asked Questions

What is the IUPAC name of 3-bromopropyl(3-methylpentan-3-yloxy)silane?
The IUPAC name of 3-bromopropyl(3-methylpentan-3-yloxy)silane (CID 174788616) is 3-bromopropyl(3-methylpentan-3-yloxy)silane.
What is the SMILES notation for 3-bromopropyl(3-methylpentan-3-yloxy)silane?
The canonical SMILES for 3-bromopropyl(3-methylpentan-3-yloxy)silane is CCC(C)(CC)O[SiH2]CCCBr.
What is the InChIKey of 3-bromopropyl(3-methylpentan-3-yloxy)silane?
The InChIKey is UFPHDGGPLMXNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BrOSi/c1-4-9(3,5-2)11-12-8-6-7-10/h4-8,12H2,1-3H3.
What are the key properties of 3-bromopropyl(3-methylpentan-3-yloxy)silane?
3-bromopropyl(3-methylpentan-3-yloxy)silane has a molecular weight of 253.26 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropyl(3-methylpentan-3-yloxy)silane is sourced from PubChem (CID 174788616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).