trimethoxy(3-phenylsulfanylpropyl)silane

C12H20O3SSi — CID 21413534

IUPACtrimethoxy(3-phenylsulfanylpropyl)silane
SMILESCO[Si](CCCSc1ccccc1)(OC)OC
InChIInChI=1S/C12H20O3SSi/c1-13-17(14-2,15-3)11-7-10-16-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKeyDIVYLRQLRQGVCW-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.05
Rot. Bonds8

About trimethoxy(3-phenylsulfanylpropyl)silane

trimethoxy(3-phenylsulfanylpropyl)silane (PubChem CID 21413534) has the molecular formula C12H20O3SSi and a molecular weight of 272.44 g/mol. Its IUPAC name is trimethoxy(3-phenylsulfanylpropyl)silane.

Molecular Properties

Compound Nametrimethoxy(3-phenylsulfanylpropyl)silane
PubChem CID21413534
Molecular FormulaC12H20O3SSi
Molecular Weight272.44 g/mol
Exact Mass272.09
IUPAC Nametrimethoxy(3-phenylsulfanylpropyl)silane
SMILESCO[Si](CCCSc1ccccc1)(OC)OC
InChIInChI=1S/C12H20O3SSi/c1-13-17(14-2,15-3)11-7-10-16-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKeyDIVYLRQLRQGVCW-UHFFFAOYSA-N
XLogP3.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.05
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethoxy(3-phenylsulfanylpropyl)silane?
The IUPAC name of trimethoxy(3-phenylsulfanylpropyl)silane (CID 21413534) is trimethoxy(3-phenylsulfanylpropyl)silane.
What is the SMILES notation for trimethoxy(3-phenylsulfanylpropyl)silane?
The canonical SMILES for trimethoxy(3-phenylsulfanylpropyl)silane is CO[Si](CCCSc1ccccc1)(OC)OC.
What is the InChIKey of trimethoxy(3-phenylsulfanylpropyl)silane?
The InChIKey is DIVYLRQLRQGVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3SSi/c1-13-17(14-2,15-3)11-7-10-16-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3.
What are the key properties of trimethoxy(3-phenylsulfanylpropyl)silane?
trimethoxy(3-phenylsulfanylpropyl)silane has a molecular weight of 272.44 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(3-phenylsulfanylpropyl)silane is sourced from PubChem (CID 21413534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).