benzyl-(4-iodobutan-2-yloxy)-dipropoxysilane

C17H29IO3Si — CID 142729589

IUPACbenzyl-(4-iodobutan-2-yloxy)-dipropoxysilane
SMILESCCCO[Si](Cc1ccccc1)(OCCC)OC(C)CCI
InChIInChI=1S/C17H29IO3Si/c1-4-13-19-22(20-14-5-2,21-16(3)11-12-18)15-17-9-7-6-8-10-17/h6-10,16H,4-5,11-15H2,1-3H3
InChIKeyVVRONQGPVCIRCJ-UHFFFAOYSA-N
MW436.41 g/mol
LogP4.79
Rot. Bonds12

About benzyl-(4-iodobutan-2-yloxy)-dipropoxysilane

benzyl-(4-iodobutan-2-yloxy)-dipropoxysilane (PubChem CID 142729589) has the molecular formula C17H29IO3Si and a molecular weight of 436.41 g/mol. Its IUPAC name is benzyl-(4-iodobutan-2-yloxy)-dipropoxysilane.

Molecular Properties

Compound Namebenzyl-(4-iodobutan-2-yloxy)-dipropoxysilane
PubChem CID142729589
Molecular FormulaC17H29IO3Si
Molecular Weight436.41 g/mol
Exact Mass436.09
IUPAC Namebenzyl-(4-iodobutan-2-yloxy)-dipropoxysilane
SMILESCCCO[Si](Cc1ccccc1)(OCCC)OC(C)CCI
InChIInChI=1S/C17H29IO3Si/c1-4-13-19-22(20-14-5-2,21-16(3)11-12-18)15-17-9-7-6-8-10-17/h6-10,16H,4-5,11-15H2,1-3H3
InChIKeyVVRONQGPVCIRCJ-UHFFFAOYSA-N
XLogP4.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 54.79
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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl-(4-iodobutan-2-yloxy)-dipropoxysilane?
The IUPAC name of benzyl-(4-iodobutan-2-yloxy)-dipropoxysilane (CID 142729589) is benzyl-(4-iodobutan-2-yloxy)-dipropoxysilane.
What is the SMILES notation for benzyl-(4-iodobutan-2-yloxy)-dipropoxysilane?
The canonical SMILES for benzyl-(4-iodobutan-2-yloxy)-dipropoxysilane is CCCO[Si](Cc1ccccc1)(OCCC)OC(C)CCI.
What is the InChIKey of benzyl-(4-iodobutan-2-yloxy)-dipropoxysilane?
The InChIKey is VVRONQGPVCIRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29IO3Si/c1-4-13-19-22(20-14-5-2,21-16(3)11-12-18)15-17-9-7-6-8-10-17/h6-10,16H,4-5,11-15H2,1-3H3.
What are the key properties of benzyl-(4-iodobutan-2-yloxy)-dipropoxysilane?
benzyl-(4-iodobutan-2-yloxy)-dipropoxysilane has a molecular weight of 436.41 g/mol, XLogP of 4.79, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(4-iodobutan-2-yloxy)-dipropoxysilane is sourced from PubChem (CID 142729589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).