hexylsulfanylmethyl(trimethoxy)silane

C10H24O3SSi — CID 88832737

IUPAChexylsulfanylmethyl(trimethoxy)silane
SMILESCCCCCCSC[Si](OC)(OC)OC
InChIInChI=1S/C10H24O3SSi/c1-5-6-7-8-9-14-10-15(11-2,12-3)13-4/h5-10H2,1-4H3
InChIKeyDJHXCARNVLBQNR-UHFFFAOYSA-N
MW252.45 g/mol
LogP2.72
Rot. Bonds10

About hexylsulfanylmethyl(trimethoxy)silane

hexylsulfanylmethyl(trimethoxy)silane (PubChem CID 88832737) has the molecular formula C10H24O3SSi and a molecular weight of 252.45 g/mol. Its IUPAC name is hexylsulfanylmethyl(trimethoxy)silane.

Molecular Properties

Compound Namehexylsulfanylmethyl(trimethoxy)silane
PubChem CID88832737
Molecular FormulaC10H24O3SSi
Molecular Weight252.45 g/mol
Exact Mass252.12
IUPAC Namehexylsulfanylmethyl(trimethoxy)silane
SMILESCCCCCCSC[Si](OC)(OC)OC
InChIInChI=1S/C10H24O3SSi/c1-5-6-7-8-9-14-10-15(11-2,12-3)13-4/h5-10H2,1-4H3
InChIKeyDJHXCARNVLBQNR-UHFFFAOYSA-N
XLogP2.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 52.72
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'}

Analyze hexylsulfanylmethyl(trimethoxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hexylsulfanylmethyl(trimethoxy)silane?
The IUPAC name of hexylsulfanylmethyl(trimethoxy)silane (CID 88832737) is hexylsulfanylmethyl(trimethoxy)silane.
What is the SMILES notation for hexylsulfanylmethyl(trimethoxy)silane?
The canonical SMILES for hexylsulfanylmethyl(trimethoxy)silane is CCCCCCSC[Si](OC)(OC)OC.
What is the InChIKey of hexylsulfanylmethyl(trimethoxy)silane?
The InChIKey is DJHXCARNVLBQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O3SSi/c1-5-6-7-8-9-14-10-15(11-2,12-3)13-4/h5-10H2,1-4H3.
What are the key properties of hexylsulfanylmethyl(trimethoxy)silane?
hexylsulfanylmethyl(trimethoxy)silane has a molecular weight of 252.45 g/mol, XLogP of 2.72, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexylsulfanylmethyl(trimethoxy)silane is sourced from PubChem (CID 88832737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).