3-bromopropyl-tris(2-methylpropoxy)silane

C15H33BrO3Si — CID 139802240

IUPAC3-bromopropyl-tris(2-methylpropoxy)silane
SMILESCC(C)CO[Si](CCCBr)(OCC(C)C)OCC(C)C
InChIInChI=1S/C15H33BrO3Si/c1-13(2)10-17-20(9-7-8-16,18-11-14(3)4)19-12-15(5)6/h13-15H,7-12H2,1-6H3
InChIKeySIYRXLVMMFNBJP-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.73
Rot. Bonds12

About 3-bromopropyl-tris(2-methylpropoxy)silane

3-bromopropyl-tris(2-methylpropoxy)silane (PubChem CID 139802240) has the molecular formula C15H33BrO3Si and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-bromopropyl-tris(2-methylpropoxy)silane.

Molecular Properties

Compound Name3-bromopropyl-tris(2-methylpropoxy)silane
PubChem CID139802240
Molecular FormulaC15H33BrO3Si
Molecular Weight369.42 g/mol
Exact Mass368.14
IUPAC Name3-bromopropyl-tris(2-methylpropoxy)silane
SMILESCC(C)CO[Si](CCCBr)(OCC(C)C)OCC(C)C
InChIInChI=1S/C15H33BrO3Si/c1-13(2)10-17-20(9-7-8-16,18-11-14(3)4)19-12-15(5)6/h13-15H,7-12H2,1-6H3
InChIKeySIYRXLVMMFNBJP-UHFFFAOYSA-N
XLogP4.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

decyl-tris(2-methylpropoxy)silane
CID 163237532
3-bromopropyl-tris(2-methoxyethoxy)silane
CID 22644088
18-bromooctadecyl(triethoxy)silane
CID 87686820
3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate
CID 139908438
methyl-[2-[methyl-bis(2-methylpropoxy)silyl]ethyl]-bis(2-methylpropoxy)silane
CID 59538064
4-bromobutyl(trimethoxy)silane
CID 15433593
25-bromopentacosyl(trimethoxy)silane
CID 87680868
22-bromodocosyl(trimethoxy)silane
CID 87682578
dichloro-bis(2-methylpropoxy)silane
CID 23432777
3-bromopropyl-diethyl-propoxysilane
CID 86116023
dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 169273482
N-bromo-2-methyl-N-(3-triethoxysilylpropyl)propan-1-amine
CID 175043415

Frequently Asked Questions

What is the IUPAC name of 3-bromopropyl-tris(2-methylpropoxy)silane?
The IUPAC name of 3-bromopropyl-tris(2-methylpropoxy)silane (CID 139802240) is 3-bromopropyl-tris(2-methylpropoxy)silane.
What is the SMILES notation for 3-bromopropyl-tris(2-methylpropoxy)silane?
The canonical SMILES for 3-bromopropyl-tris(2-methylpropoxy)silane is CC(C)CO[Si](CCCBr)(OCC(C)C)OCC(C)C.
What is the InChIKey of 3-bromopropyl-tris(2-methylpropoxy)silane?
The InChIKey is SIYRXLVMMFNBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33BrO3Si/c1-13(2)10-17-20(9-7-8-16,18-11-14(3)4)19-12-15(5)6/h13-15H,7-12H2,1-6H3.
What are the key properties of 3-bromopropyl-tris(2-methylpropoxy)silane?
3-bromopropyl-tris(2-methylpropoxy)silane has a molecular weight of 369.42 g/mol, XLogP of 4.73, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropyl-tris(2-methylpropoxy)silane is sourced from PubChem (CID 139802240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).