1-(3-triethoxysilylpropylsulfanyl)propan-2-ol

C12H28O4SSi — CID 23534587

IUPAC1-(3-triethoxysilylpropylsulfanyl)propan-2-ol
SMILESCCO[Si](CCCSCC(C)O)(OCC)OCC
InChIInChI=1S/C12H28O4SSi/c1-5-14-18(15-6-2,16-7-3)10-8-9-17-11-12(4)13/h12-13H,5-11H2,1-4H3
InChIKeyWOEPRIAHTBEGCV-UHFFFAOYSA-N
MW296.50 g/mol
LogP2.54
Rot. Bonds12

About 1-(3-triethoxysilylpropylsulfanyl)propan-2-ol

1-(3-triethoxysilylpropylsulfanyl)propan-2-ol (PubChem CID 23534587) has the molecular formula C12H28O4SSi and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-(3-triethoxysilylpropylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-triethoxysilylpropylsulfanyl)propan-2-ol
PubChem CID23534587
Molecular FormulaC12H28O4SSi
Molecular Weight296.50 g/mol
Exact Mass296.15
IUPAC Name1-(3-triethoxysilylpropylsulfanyl)propan-2-ol
SMILESCCO[Si](CCCSCC(C)O)(OCC)OCC
InChIInChI=1S/C12H28O4SSi/c1-5-14-18(15-6-2,16-7-3)10-8-9-17-11-12(4)13/h12-13H,5-11H2,1-4H3
InChIKeyWOEPRIAHTBEGCV-UHFFFAOYSA-N
XLogP2.54
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 52.54
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 1-(3-triethoxysilylpropylsulfanyl)propan-2-ol?
The IUPAC name of 1-(3-triethoxysilylpropylsulfanyl)propan-2-ol (CID 23534587) is 1-(3-triethoxysilylpropylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-(3-triethoxysilylpropylsulfanyl)propan-2-ol?
The canonical SMILES for 1-(3-triethoxysilylpropylsulfanyl)propan-2-ol is CCO[Si](CCCSCC(C)O)(OCC)OCC.
What is the InChIKey of 1-(3-triethoxysilylpropylsulfanyl)propan-2-ol?
The InChIKey is WOEPRIAHTBEGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O4SSi/c1-5-14-18(15-6-2,16-7-3)10-8-9-17-11-12(4)13/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-(3-triethoxysilylpropylsulfanyl)propan-2-ol?
1-(3-triethoxysilylpropylsulfanyl)propan-2-ol has a molecular weight of 296.50 g/mol, XLogP of 2.54, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-triethoxysilylpropylsulfanyl)propan-2-ol is sourced from PubChem (CID 23534587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).