2-[3-[ethoxy(dimethyl)silyl]propylsulfanyl]ethanol

C9H22O2SSi — CID 59365622

IUPAC2-[3-[ethoxy(dimethyl)silyl]propylsulfanyl]ethanol
SMILESCCO[Si](C)(C)CCCSCCO
InChIInChI=1S/C9H22O2SSi/c1-4-11-13(2,3)9-5-7-12-8-6-10/h10H,4-9H2,1-3H3
InChIKeyCDPKYLZZCWVNQT-UHFFFAOYSA-N
MW222.43 g/mol
LogP2.34
Rot. Bonds8

About 2-[3-[ethoxy(dimethyl)silyl]propylsulfanyl]ethanol

2-[3-[ethoxy(dimethyl)silyl]propylsulfanyl]ethanol (PubChem CID 59365622) has the molecular formula C9H22O2SSi and a molecular weight of 222.43 g/mol. Its IUPAC name is 2-[3-[ethoxy(dimethyl)silyl]propylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[3-[ethoxy(dimethyl)silyl]propylsulfanyl]ethanol
PubChem CID59365622
Molecular FormulaC9H22O2SSi
Molecular Weight222.43 g/mol
Exact Mass222.11
IUPAC Name2-[3-[ethoxy(dimethyl)silyl]propylsulfanyl]ethanol
SMILESCCO[Si](C)(C)CCCSCCO
InChIInChI=1S/C9H22O2SSi/c1-4-11-13(2,3)9-5-7-12-8-6-10/h10H,4-9H2,1-3H3
InChIKeyCDPKYLZZCWVNQT-UHFFFAOYSA-N
XLogP2.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[3-[ethoxy(dimethyl)silyl]propylsulfanyl]ethanol?
The IUPAC name of 2-[3-[ethoxy(dimethyl)silyl]propylsulfanyl]ethanol (CID 59365622) is 2-[3-[ethoxy(dimethyl)silyl]propylsulfanyl]ethanol.
What is the SMILES notation for 2-[3-[ethoxy(dimethyl)silyl]propylsulfanyl]ethanol?
The canonical SMILES for 2-[3-[ethoxy(dimethyl)silyl]propylsulfanyl]ethanol is CCO[Si](C)(C)CCCSCCO.
What is the InChIKey of 2-[3-[ethoxy(dimethyl)silyl]propylsulfanyl]ethanol?
The InChIKey is CDPKYLZZCWVNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O2SSi/c1-4-11-13(2,3)9-5-7-12-8-6-10/h10H,4-9H2,1-3H3.
What are the key properties of 2-[3-[ethoxy(dimethyl)silyl]propylsulfanyl]ethanol?
2-[3-[ethoxy(dimethyl)silyl]propylsulfanyl]ethanol has a molecular weight of 222.43 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[ethoxy(dimethyl)silyl]propylsulfanyl]ethanol is sourced from PubChem (CID 59365622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).