3-bromopropyl-tris(2-methoxyethoxy)silane

C12H27BrO6Si — CID 22644088

IUPAC3-bromopropyl-tris(2-methoxyethoxy)silane
SMILESCOCCO[Si](CCCBr)(OCCOC)OCCOC
InChIInChI=1S/C12H27BrO6Si/c1-14-6-9-17-20(12-4-5-13,18-10-7-15-2)19-11-8-16-3/h4-12H2,1-3H3
InChIKeyNXSFUYQBFOLDBP-UHFFFAOYSA-N
MW375.33 g/mol
LogP1.70
Rot. Bonds15

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

3-bromopropyl-tris(2-methoxyethoxy)silane (PubChem CID 22644088) has the molecular formula C12H27BrO6Si and a molecular weight of 375.33 g/mol. Its IUPAC name is 3-bromopropyl-tris(2-methoxyethoxy)silane.

Molecular Properties

Compound Name3-bromopropyl-tris(2-methoxyethoxy)silane
PubChem CID22644088
Molecular FormulaC12H27BrO6Si
Molecular Weight375.33 g/mol
Exact Mass374.08
IUPAC Name3-bromopropyl-tris(2-methoxyethoxy)silane
SMILESCOCCO[Si](CCCBr)(OCCOC)OCCOC
InChIInChI=1S/C12H27BrO6Si/c1-14-6-9-17-20(12-4-5-13,18-10-7-15-2)19-11-8-16-3/h4-12H2,1-3H3
InChIKeyNXSFUYQBFOLDBP-UHFFFAOYSA-N
XLogP1.70
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

tris[2-(2-methoxyethoxy)ethoxy]-pent-4-enylsilane
CID 87934278
3-bromopropyl-tris(2-methylpropoxy)silane
CID 139802240
3-but-1-enoxypropyl-tris(2-methoxyethoxy)silane
CID 141080753
4-bromobutyl(trimethoxy)silane
CID 15433593
triethoxy(3-methoxypropyl)silane
CID 22712922
N-methyl-3-trimethoxysilylpropan-1-amine;3-[tris(2-methoxyethoxy)silyl]propan-1-amine
CID 157071807
[dimethyl(trimethylsilyloxy)silyl]oxy-dimethyl-[2-[tris(2-methoxyethoxy)silyl]ethyl]silane
CID 22174401
22-bromodocosyl(trimethoxy)silane
CID 87682578
1-bromo-3-(2-methoxyethoxy)propane
CID 15636133
25-bromopentacosyl(trimethoxy)silane
CID 87680868
18-bromooctadecyl(triethoxy)silane
CID 87686820
3-[tris(2-methoxyethoxy)silyl]propyl but-2-enoate
CID 57295755

Frequently Asked Questions

What is the IUPAC name of 3-bromopropyl-tris(2-methoxyethoxy)silane?
The IUPAC name of 3-bromopropyl-tris(2-methoxyethoxy)silane (CID 22644088) is 3-bromopropyl-tris(2-methoxyethoxy)silane.
What is the SMILES notation for 3-bromopropyl-tris(2-methoxyethoxy)silane?
The canonical SMILES for 3-bromopropyl-tris(2-methoxyethoxy)silane is COCCO[Si](CCCBr)(OCCOC)OCCOC.
What is the InChIKey of 3-bromopropyl-tris(2-methoxyethoxy)silane?
The InChIKey is NXSFUYQBFOLDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BrO6Si/c1-14-6-9-17-20(12-4-5-13,18-10-7-15-2)19-11-8-16-3/h4-12H2,1-3H3.
What are the key properties of 3-bromopropyl-tris(2-methoxyethoxy)silane?
3-bromopropyl-tris(2-methoxyethoxy)silane has a molecular weight of 375.33 g/mol, XLogP of 1.70, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropyl-tris(2-methoxyethoxy)silane is sourced from PubChem (CID 22644088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).