hydroxy-dimethoxy-[3-(2-methyl-3-methylsulfanylpropoxy)propyl]silane

C10H24O4SSi — CID 90441305

IUPAChydroxy-dimethoxy-[3-(2-methyl-3-methylsulfanylpropoxy)propyl]silane
SMILESCO[Si](O)(CCCOCC(C)CSC)OC
InChIInChI=1S/C10H24O4SSi/c1-10(9-15-4)8-14-6-5-7-16(11,12-2)13-3/h10-11H,5-9H2,1-4H3
InChIKeyCUHXZFMZNCMCOR-UHFFFAOYSA-N
MW268.45 g/mol
LogP1.62
Rot. Bonds10

About hydroxy-dimethoxy-[3-(2-methyl-3-methylsulfanylpropoxy)propyl]silane

hydroxy-dimethoxy-[3-(2-methyl-3-methylsulfanylpropoxy)propyl]silane (PubChem CID 90441305) has the molecular formula C10H24O4SSi and a molecular weight of 268.45 g/mol. Its IUPAC name is hydroxy-dimethoxy-[3-(2-methyl-3-methylsulfanylpropoxy)propyl]silane.

Molecular Properties

Compound Namehydroxy-dimethoxy-[3-(2-methyl-3-methylsulfanylpropoxy)propyl]silane
PubChem CID90441305
Molecular FormulaC10H24O4SSi
Molecular Weight268.45 g/mol
Exact Mass268.12
IUPAC Namehydroxy-dimethoxy-[3-(2-methyl-3-methylsulfanylpropoxy)propyl]silane
SMILESCO[Si](O)(CCCOCC(C)CSC)OC
InChIInChI=1S/C10H24O4SSi/c1-10(9-15-4)8-14-6-5-7-16(11,12-2)13-3/h10-11H,5-9H2,1-4H3
InChIKeyCUHXZFMZNCMCOR-UHFFFAOYSA-N
XLogP1.62
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 hydroxy-dimethoxy-[3-(2-methyl-3-methylsulfanylpropoxy)propyl]silane?
The IUPAC name of hydroxy-dimethoxy-[3-(2-methyl-3-methylsulfanylpropoxy)propyl]silane (CID 90441305) is hydroxy-dimethoxy-[3-(2-methyl-3-methylsulfanylpropoxy)propyl]silane.
What is the SMILES notation for hydroxy-dimethoxy-[3-(2-methyl-3-methylsulfanylpropoxy)propyl]silane?
The canonical SMILES for hydroxy-dimethoxy-[3-(2-methyl-3-methylsulfanylpropoxy)propyl]silane is CO[Si](O)(CCCOCC(C)CSC)OC.
What is the InChIKey of hydroxy-dimethoxy-[3-(2-methyl-3-methylsulfanylpropoxy)propyl]silane?
The InChIKey is CUHXZFMZNCMCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O4SSi/c1-10(9-15-4)8-14-6-5-7-16(11,12-2)13-3/h10-11H,5-9H2,1-4H3.
What are the key properties of hydroxy-dimethoxy-[3-(2-methyl-3-methylsulfanylpropoxy)propyl]silane?
hydroxy-dimethoxy-[3-(2-methyl-3-methylsulfanylpropoxy)propyl]silane has a molecular weight of 268.45 g/mol, XLogP of 1.62, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethoxy-[3-(2-methyl-3-methylsulfanylpropoxy)propyl]silane is sourced from PubChem (CID 90441305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).