(3-bromo-1,1,2-triethoxypropyl)silane

C9H21BrO3Si — CID 123303105

IUPAC(3-bromo-1,1,2-triethoxypropyl)silane
SMILESCCOC(CBr)C([SiH3])(OCC)OCC
InChIInChI=1S/C9H21BrO3Si/c1-4-11-8(7-10)9(14,12-5-2)13-6-3/h8H,4-7H2,1-3,14H3
InChIKeySHDVIXUMKBDGRZ-UHFFFAOYSA-N
MW285.25 g/mol
LogP0.88
Rot. Bonds8

About (3-bromo-1,1,2-triethoxypropyl)silane

(3-bromo-1,1,2-triethoxypropyl)silane (PubChem CID 123303105) has the molecular formula C9H21BrO3Si and a molecular weight of 285.25 g/mol. Its IUPAC name is (3-bromo-1,1,2-triethoxypropyl)silane.

Molecular Properties

Compound Name(3-bromo-1,1,2-triethoxypropyl)silane
PubChem CID123303105
Molecular FormulaC9H21BrO3Si
Molecular Weight285.25 g/mol
Exact Mass284.04
IUPAC Name(3-bromo-1,1,2-triethoxypropyl)silane
SMILESCCOC(CBr)C([SiH3])(OCC)OCC
InChIInChI=1S/C9H21BrO3Si/c1-4-11-8(7-10)9(14,12-5-2)13-6-3/h8H,4-7H2,1-3,14H3
InChIKeySHDVIXUMKBDGRZ-UHFFFAOYSA-N
XLogP0.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 50.88
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3-chloro-1,1,2-triethoxypropyl)silane
CID 174751331
(1,1,2-triethoxy-3-isocyanopropyl)silane
CID 123656477
[1,1-diethoxy-2-(oxiran-2-ylmethoxy)butyl]silane
CID 173157822
(1,2-diethoxy-1-silylpropyl)silane
CID 175503971
1,4-dibromo-2-ethoxybutane
CID 19019599
1,1,2-triethoxypentan-1-ol
CID 87881189
(3S)-3-ethoxy-2,2-dimethylpentane
CID 88893623
1-ethoxy-1-silylpropane-1-thiol
CID 175542584
(3-ethoxy-2-methylnonan-2-yl)silane
CID 173242483
1,1-bis(1,1,2-triethoxy-3-silylpropyl)urea
CID 173175803
1,1,3-triethoxy-3-silylpropan-1-amine
CID 152765619
2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol
CID 18426421

Frequently Asked Questions

What is the IUPAC name of (3-bromo-1,1,2-triethoxypropyl)silane?
The IUPAC name of (3-bromo-1,1,2-triethoxypropyl)silane (CID 123303105) is (3-bromo-1,1,2-triethoxypropyl)silane.
What is the SMILES notation for (3-bromo-1,1,2-triethoxypropyl)silane?
The canonical SMILES for (3-bromo-1,1,2-triethoxypropyl)silane is CCOC(CBr)C([SiH3])(OCC)OCC.
What is the InChIKey of (3-bromo-1,1,2-triethoxypropyl)silane?
The InChIKey is SHDVIXUMKBDGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BrO3Si/c1-4-11-8(7-10)9(14,12-5-2)13-6-3/h8H,4-7H2,1-3,14H3.
What are the key properties of (3-bromo-1,1,2-triethoxypropyl)silane?
(3-bromo-1,1,2-triethoxypropyl)silane has a molecular weight of 285.25 g/mol, XLogP of 0.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1,1,2-triethoxypropyl)silane is sourced from PubChem (CID 123303105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).