3-bromopropyl(1,1-diethoxyethyl)silane

C9H21BrO2Si — CID 173419111

IUPAC3-bromopropyl(1,1-diethoxyethyl)silane
SMILESCCOC(C)(OCC)[SiH2]CCCBr
InChIInChI=1S/C9H21BrO2Si/c1-4-11-9(3,12-5-2)13-8-6-7-10/h4-8,13H2,1-3H3
InChIKeyGCSMKAWLPOQNLM-UHFFFAOYSA-N
MW269.25 g/mol
LogP2.11
Rot. Bonds8

About 3-bromopropyl(1,1-diethoxyethyl)silane

3-bromopropyl(1,1-diethoxyethyl)silane (PubChem CID 173419111) has the molecular formula C9H21BrO2Si and a molecular weight of 269.25 g/mol. Its IUPAC name is 3-bromopropyl(1,1-diethoxyethyl)silane.

Molecular Properties

Compound Name3-bromopropyl(1,1-diethoxyethyl)silane
PubChem CID173419111
Molecular FormulaC9H21BrO2Si
Molecular Weight269.25 g/mol
Exact Mass268.05
IUPAC Name3-bromopropyl(1,1-diethoxyethyl)silane
SMILESCCOC(C)(OCC)[SiH2]CCCBr
InChIInChI=1S/C9H21BrO2Si/c1-4-11-9(3,12-5-2)13-8-6-7-10/h4-8,13H2,1-3H3
InChIKeyGCSMKAWLPOQNLM-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(1,1-diethoxyethylsilyl)butan-1-amine
CID 71340300
1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane
CID 173016785
3-bromopropyl(3-methylpentan-3-yloxy)silane
CID 174788616
1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane
CID 173017003
1,1-diethoxyethyl(ethoxy)silane
CID 164998800
1,1-diethoxyethyl-(1,3-diethyl-1,3-diazinan-5-yl)silane
CID 173005167
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
2,3-bis(4-bromobutoxy)-2,3-dimethylbutane
CID 139648621
2-bromoethyl(tert-butyl)silane
CID 172802372
2-ethoxy-N-(2-ethoxypropan-2-yl)propan-2-amine
CID 22450253

Frequently Asked Questions

What is the IUPAC name of 3-bromopropyl(1,1-diethoxyethyl)silane?
The IUPAC name of 3-bromopropyl(1,1-diethoxyethyl)silane (CID 173419111) is 3-bromopropyl(1,1-diethoxyethyl)silane.
What is the SMILES notation for 3-bromopropyl(1,1-diethoxyethyl)silane?
The canonical SMILES for 3-bromopropyl(1,1-diethoxyethyl)silane is CCOC(C)(OCC)[SiH2]CCCBr.
What is the InChIKey of 3-bromopropyl(1,1-diethoxyethyl)silane?
The InChIKey is GCSMKAWLPOQNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BrO2Si/c1-4-11-9(3,12-5-2)13-8-6-7-10/h4-8,13H2,1-3H3.
What are the key properties of 3-bromopropyl(1,1-diethoxyethyl)silane?
3-bromopropyl(1,1-diethoxyethyl)silane has a molecular weight of 269.25 g/mol, XLogP of 2.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropyl(1,1-diethoxyethyl)silane is sourced from PubChem (CID 173419111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).