bromo-diiodo-propoxysilane

C3H7BrI2OSi — CID 140745057

IUPACbromo-diiodo-propoxysilane
SMILESCCCO[Si](Br)(I)I
InChIInChI=1S/C3H7BrI2OSi/c1-2-3-7-8(4,5)6/h2-3H2,1H3
InChIKeySZVMWDRLNGAMHB-UHFFFAOYSA-N
MW420.89 g/mol
LogP3.11
Rot. Bonds3

About bromo-diiodo-propoxysilane

bromo-diiodo-propoxysilane (PubChem CID 140745057) has the molecular formula C3H7BrI2OSi and a molecular weight of 420.89 g/mol. Its IUPAC name is bromo-diiodo-propoxysilane.

Molecular Properties

Compound Namebromo-diiodo-propoxysilane
PubChem CID140745057
Molecular FormulaC3H7BrI2OSi
Molecular Weight420.89 g/mol
Exact Mass419.75
IUPAC Namebromo-diiodo-propoxysilane
SMILESCCCO[Si](Br)(I)I
InChIInChI=1S/C3H7BrI2OSi/c1-2-3-7-8(4,5)6/h2-3H2,1H3
InChIKeySZVMWDRLNGAMHB-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromo-diiodo-propoxysilane?
The IUPAC name of bromo-diiodo-propoxysilane (CID 140745057) is bromo-diiodo-propoxysilane.
What is the SMILES notation for bromo-diiodo-propoxysilane?
The canonical SMILES for bromo-diiodo-propoxysilane is CCCO[Si](Br)(I)I.
What is the InChIKey of bromo-diiodo-propoxysilane?
The InChIKey is SZVMWDRLNGAMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BrI2OSi/c1-2-3-7-8(4,5)6/h2-3H2,1H3.
What are the key properties of bromo-diiodo-propoxysilane?
bromo-diiodo-propoxysilane has a molecular weight of 420.89 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-diiodo-propoxysilane is sourced from PubChem (CID 140745057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).