1-(2,2,6-trimethoxyoxasilinan-6-yl)propane-1-thiol

C10H22O4SSi — CID 88621639

IUPAC1-(2,2,6-trimethoxyoxasilinan-6-yl)propane-1-thiol
SMILESCCC(S)C1(OC)CCC[Si](OC)(OC)O1
InChIInChI=1S/C10H22O4SSi/c1-5-9(15)10(11-2)7-6-8-16(12-3,13-4)14-10/h9,15H,5-8H2,1-4H3
InChIKeyMIURNGMQEZOPDT-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.08
Rot. Bonds5

About 1-(2,2,6-trimethoxyoxasilinan-6-yl)propane-1-thiol

1-(2,2,6-trimethoxyoxasilinan-6-yl)propane-1-thiol (PubChem CID 88621639) has the molecular formula C10H22O4SSi and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(2,2,6-trimethoxyoxasilinan-6-yl)propane-1-thiol.

Molecular Properties

Compound Name1-(2,2,6-trimethoxyoxasilinan-6-yl)propane-1-thiol
PubChem CID88621639
Molecular FormulaC10H22O4SSi
Molecular Weight266.43 g/mol
Exact Mass266.10
IUPAC Name1-(2,2,6-trimethoxyoxasilinan-6-yl)propane-1-thiol
SMILESCCC(S)C1(OC)CCC[Si](OC)(OC)O1
InChIInChI=1S/C10H22O4SSi/c1-5-9(15)10(11-2)7-6-8-16(12-3,13-4)14-10/h9,15H,5-8H2,1-4H3
InChIKeyMIURNGMQEZOPDT-UHFFFAOYSA-N
XLogP2.08
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,6-trimethoxyoxasilinan-6-yl)propane-1-thiol?
The IUPAC name of 1-(2,2,6-trimethoxyoxasilinan-6-yl)propane-1-thiol (CID 88621639) is 1-(2,2,6-trimethoxyoxasilinan-6-yl)propane-1-thiol.
What is the SMILES notation for 1-(2,2,6-trimethoxyoxasilinan-6-yl)propane-1-thiol?
The canonical SMILES for 1-(2,2,6-trimethoxyoxasilinan-6-yl)propane-1-thiol is CCC(S)C1(OC)CCC[Si](OC)(OC)O1.
What is the InChIKey of 1-(2,2,6-trimethoxyoxasilinan-6-yl)propane-1-thiol?
The InChIKey is MIURNGMQEZOPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4SSi/c1-5-9(15)10(11-2)7-6-8-16(12-3,13-4)14-10/h9,15H,5-8H2,1-4H3.
What are the key properties of 1-(2,2,6-trimethoxyoxasilinan-6-yl)propane-1-thiol?
1-(2,2,6-trimethoxyoxasilinan-6-yl)propane-1-thiol has a molecular weight of 266.43 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,6-trimethoxyoxasilinan-6-yl)propane-1-thiol is sourced from PubChem (CID 88621639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).