1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol

C9H22O3SSi — CID 59435047

IUPAC1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol
SMILESCO[Si](C)(CCCSCC(C)O)OC
InChIInChI=1S/C9H22O3SSi/c1-9(10)8-13-6-5-7-14(4,11-2)12-3/h9-10H,5-8H2,1-4H3
InChIKeyNQOPHIZJLWRNJC-UHFFFAOYSA-N
MW238.42 g/mol
LogP1.86
Rot. Bonds8

About 1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol

1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol (PubChem CID 59435047) has the molecular formula C9H22O3SSi and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol
PubChem CID59435047
Molecular FormulaC9H22O3SSi
Molecular Weight238.42 g/mol
Exact Mass238.11
IUPAC Name1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol
SMILESCO[Si](C)(CCCSCC(C)O)OC
InChIInChI=1S/C9H22O3SSi/c1-9(10)8-13-6-5-7-14(4,11-2)12-3/h9-10H,5-8H2,1-4H3
InChIKeyNQOPHIZJLWRNJC-UHFFFAOYSA-N
XLogP1.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
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 1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol 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 1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol?
The IUPAC name of 1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol (CID 59435047) is 1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol.
What is the SMILES notation for 1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol?
The canonical SMILES for 1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol is CO[Si](C)(CCCSCC(C)O)OC.
What is the InChIKey of 1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol?
The InChIKey is NQOPHIZJLWRNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3SSi/c1-9(10)8-13-6-5-7-14(4,11-2)12-3/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol?
1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol has a molecular weight of 238.42 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol is sourced from PubChem (CID 59435047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).