3-bromopropyl(diphenoxymethyl)silane

C16H19BrO2Si — CID 154165223

IUPAC3-bromopropyl(diphenoxymethyl)silane
SMILESBrCCC[SiH2]C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H19BrO2Si/c17-12-7-13-20-16(18-14-8-3-1-4-9-14)19-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,20H2
InChIKeyJMFMIHUQUGZBQY-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.80
Rot. Bonds8

About 3-bromopropyl(diphenoxymethyl)silane

3-bromopropyl(diphenoxymethyl)silane (PubChem CID 154165223) has the molecular formula C16H19BrO2Si and a molecular weight of 351.32 g/mol. Its IUPAC name is 3-bromopropyl(diphenoxymethyl)silane.

Molecular Properties

Compound Name3-bromopropyl(diphenoxymethyl)silane
PubChem CID154165223
Molecular FormulaC16H19BrO2Si
Molecular Weight351.32 g/mol
Exact Mass350.03
IUPAC Name3-bromopropyl(diphenoxymethyl)silane
SMILESBrCCC[SiH2]C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H19BrO2Si/c17-12-7-13-20-16(18-14-8-3-1-4-9-14)19-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,20H2
InChIKeyJMFMIHUQUGZBQY-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.80
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

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Frequently Asked Questions

What is the IUPAC name of 3-bromopropyl(diphenoxymethyl)silane?
The IUPAC name of 3-bromopropyl(diphenoxymethyl)silane (CID 154165223) is 3-bromopropyl(diphenoxymethyl)silane.
What is the SMILES notation for 3-bromopropyl(diphenoxymethyl)silane?
The canonical SMILES for 3-bromopropyl(diphenoxymethyl)silane is BrCCC[SiH2]C(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 3-bromopropyl(diphenoxymethyl)silane?
The InChIKey is JMFMIHUQUGZBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrO2Si/c17-12-7-13-20-16(18-14-8-3-1-4-9-14)19-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,20H2.
What are the key properties of 3-bromopropyl(diphenoxymethyl)silane?
3-bromopropyl(diphenoxymethyl)silane has a molecular weight of 351.32 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropyl(diphenoxymethyl)silane is sourced from PubChem (CID 154165223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).