benzyl-dimethoxy-(propoxymethoxy)silane

C13H22O4Si — CID 174106609

IUPACbenzyl-dimethoxy-(propoxymethoxy)silane
SMILESCCCOCO[Si](Cc1ccccc1)(OC)OC
InChIInChI=1S/C13H22O4Si/c1-4-10-16-12-17-18(14-2,15-3)11-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3
InChIKeyOOHGOTQKHLFIBW-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.40
Rot. Bonds9

About benzyl-dimethoxy-(propoxymethoxy)silane

benzyl-dimethoxy-(propoxymethoxy)silane (PubChem CID 174106609) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is benzyl-dimethoxy-(propoxymethoxy)silane.

Molecular Properties

Compound Namebenzyl-dimethoxy-(propoxymethoxy)silane
PubChem CID174106609
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Namebenzyl-dimethoxy-(propoxymethoxy)silane
SMILESCCCOCO[Si](Cc1ccccc1)(OC)OC
InChIInChI=1S/C13H22O4Si/c1-4-10-16-12-17-18(14-2,15-3)11-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3
InChIKeyOOHGOTQKHLFIBW-UHFFFAOYSA-N
XLogP2.40
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Frequently Asked Questions

What is the IUPAC name of benzyl-dimethoxy-(propoxymethoxy)silane?
The IUPAC name of benzyl-dimethoxy-(propoxymethoxy)silane (CID 174106609) is benzyl-dimethoxy-(propoxymethoxy)silane.
What is the SMILES notation for benzyl-dimethoxy-(propoxymethoxy)silane?
The canonical SMILES for benzyl-dimethoxy-(propoxymethoxy)silane is CCCOCO[Si](Cc1ccccc1)(OC)OC.
What is the InChIKey of benzyl-dimethoxy-(propoxymethoxy)silane?
The InChIKey is OOHGOTQKHLFIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-4-10-16-12-17-18(14-2,15-3)11-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3.
What are the key properties of benzyl-dimethoxy-(propoxymethoxy)silane?
benzyl-dimethoxy-(propoxymethoxy)silane has a molecular weight of 270.40 g/mol, XLogP of 2.40, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethoxy-(propoxymethoxy)silane is sourced from PubChem (CID 174106609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).