2,2,6-triethoxyoxasilinane-6-thiol

C10H22O4SSi — CID 175099563

IUPAC2,2,6-triethoxyoxasilinane-6-thiol
SMILESCCOC1(S)CCC[Si](OCC)(OCC)O1
InChIInChI=1S/C10H22O4SSi/c1-4-11-10(15)8-7-9-16(14-10,12-5-2)13-6-3/h15H,4-9H2,1-3H3
InChIKeySADLXRUTMIYHSQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.43
Rot. Bonds6

About 2,2,6-triethoxyoxasilinane-6-thiol

2,2,6-triethoxyoxasilinane-6-thiol (PubChem CID 175099563) has the molecular formula C10H22O4SSi and a molecular weight of 266.43 g/mol. Its IUPAC name is 2,2,6-triethoxyoxasilinane-6-thiol.

Molecular Properties

Compound Name2,2,6-triethoxyoxasilinane-6-thiol
PubChem CID175099563
Molecular FormulaC10H22O4SSi
Molecular Weight266.43 g/mol
Exact Mass266.10
IUPAC Name2,2,6-triethoxyoxasilinane-6-thiol
SMILESCCOC1(S)CCC[Si](OCC)(OCC)O1
InChIInChI=1S/C10H22O4SSi/c1-4-11-10(15)8-7-9-16(14-10,12-5-2)13-6-3/h15H,4-9H2,1-3H3
InChIKeySADLXRUTMIYHSQ-UHFFFAOYSA-N
XLogP2.43
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6,6-diethoxy-2,2-dimethyloxasilinane
CID 22114371
1,1,2,2-tetraethoxysilinane
CID 174248265
2,2-dichloro-6,6-diethoxyoxasilinane
CID 66904914
2,2-diethoxyoxasilirane
CID 140622651
2-cyclopropyl-1,1,2-triethoxysilinane
CID 174341764
1,1,2-triethoxy-2-ethylsilinane-3-thiol
CID 174884101
2,2-diethoxy-6-methyl-1,6,2-oxazasilocane
CID 140723407
1-(2,2,6-trimethoxyoxasilinan-6-yl)propane-1-thiol
CID 88621639
2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane
CID 174976602
propanoic acid;1,1,2-triethoxy-2-ethylsilinane
CID 174783066
2,2-diethoxy-8-methyl-1,8,2-oxazasilecane
CID 140723416
(1,1,2-triethoxysilinan-2-yl)methyl acetate
CID 174525349

Frequently Asked Questions

What is the IUPAC name of 2,2,6-triethoxyoxasilinane-6-thiol?
The IUPAC name of 2,2,6-triethoxyoxasilinane-6-thiol (CID 175099563) is 2,2,6-triethoxyoxasilinane-6-thiol.
What is the SMILES notation for 2,2,6-triethoxyoxasilinane-6-thiol?
The canonical SMILES for 2,2,6-triethoxyoxasilinane-6-thiol is CCOC1(S)CCC[Si](OCC)(OCC)O1.
What is the InChIKey of 2,2,6-triethoxyoxasilinane-6-thiol?
The InChIKey is SADLXRUTMIYHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4SSi/c1-4-11-10(15)8-7-9-16(14-10,12-5-2)13-6-3/h15H,4-9H2,1-3H3.
What are the key properties of 2,2,6-triethoxyoxasilinane-6-thiol?
2,2,6-triethoxyoxasilinane-6-thiol has a molecular weight of 266.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-triethoxyoxasilinane-6-thiol is sourced from PubChem (CID 175099563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).