[4-ethyl-2,4,6,8-tetramethyl-6,8-bis(sulfanylmethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]methanethiol

C9H26O4S3Si4 — CID 174091789

IUPAC[4-ethyl-2,4,6,8-tetramethyl-6,8-bis(sulfanylmethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]methanethiol
SMILESCC[Si]1(C)O[Si](C)(CS)O[Si](C)(CS)O[Si](C)(CS)O1
InChIInChI=1S/C9H26O4S3Si4/c1-6-17(2)10-18(3,7-14)12-20(5,9-16)13-19(4,8-15)11-17/h14-16H,6-9H2,1-5H3
InChIKeyMZVXYTGZQNJVAR-UHFFFAOYSA-N
MW406.85 g/mol
LogP2.78
Rot. Bonds4

About [4-ethyl-2,4,6,8-tetramethyl-6,8-bis(sulfanylmethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]methanethiol

[4-ethyl-2,4,6,8-tetramethyl-6,8-bis(sulfanylmethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]methanethiol (PubChem CID 174091789) has the molecular formula C9H26O4S3Si4 and a molecular weight of 406.85 g/mol. Its IUPAC name is [4-ethyl-2,4,6,8-tetramethyl-6,8-bis(sulfanylmethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]methanethiol.

Molecular Properties

Compound Name[4-ethyl-2,4,6,8-tetramethyl-6,8-bis(sulfanylmethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]methanethiol
PubChem CID174091789
Molecular FormulaC9H26O4S3Si4
Molecular Weight406.85 g/mol
Exact Mass406.01
IUPAC Name[4-ethyl-2,4,6,8-tetramethyl-6,8-bis(sulfanylmethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]methanethiol
SMILESCC[Si]1(C)O[Si](C)(CS)O[Si](C)(CS)O[Si](C)(CS)O1
InChIInChI=1S/C9H26O4S3Si4/c1-6-17(2)10-18(3,7-14)12-20(5,9-16)13-19(4,8-15)11-17/h14-16H,6-9H2,1-5H3
InChIKeyMZVXYTGZQNJVAR-UHFFFAOYSA-N
XLogP2.78
TPSA36.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-ethyl-2,4,6,8-tetramethyl-6,8-bis(sulfanylmethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]methanethiol with MolForge

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Related Compounds

2-ethyl-2,4,6,8-tetramethyl-4,6,8-tripropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 21361158
2,6-diethyl-2,4,4,6,8-pentamethyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 20691840
1-(4-ethyl-2,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)-N-methylmethanamine
CID 140893211
2,2,4-triethyl-4,6,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane
CID 18783203
2,4-diethyl-2,4,6,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,6-diethyl-2,4,4,6,8,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;methane;trimethyl(trimethylsilyloxy)silane
CID 161033071
2,4,6-tris(ethenyl)-8-ethyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 21361150
1,3,5,7,9,11,13,15-octaethyl-7-hydroxy-13-methyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane
CID 58898346
2,4,6,8-tetramethyl-2,4,6,8-tetrapentyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 142697059
2-ethyl-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane
CID 151551025
2,6-dichloro-2,4,6,8-tetramethyl-4,8-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 54569917
(1,2-13C2)ethanethiol
CID 169439901
2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 58021544

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2,4,6,8-tetramethyl-6,8-bis(sulfanylmethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]methanethiol?
The IUPAC name of [4-ethyl-2,4,6,8-tetramethyl-6,8-bis(sulfanylmethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]methanethiol (CID 174091789) is [4-ethyl-2,4,6,8-tetramethyl-6,8-bis(sulfanylmethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]methanethiol.
What is the SMILES notation for [4-ethyl-2,4,6,8-tetramethyl-6,8-bis(sulfanylmethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]methanethiol?
The canonical SMILES for [4-ethyl-2,4,6,8-tetramethyl-6,8-bis(sulfanylmethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]methanethiol is CC[Si]1(C)O[Si](C)(CS)O[Si](C)(CS)O[Si](C)(CS)O1.
What is the InChIKey of [4-ethyl-2,4,6,8-tetramethyl-6,8-bis(sulfanylmethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]methanethiol?
The InChIKey is MZVXYTGZQNJVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H26O4S3Si4/c1-6-17(2)10-18(3,7-14)12-20(5,9-16)13-19(4,8-15)11-17/h14-16H,6-9H2,1-5H3.
What are the key properties of [4-ethyl-2,4,6,8-tetramethyl-6,8-bis(sulfanylmethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]methanethiol?
[4-ethyl-2,4,6,8-tetramethyl-6,8-bis(sulfanylmethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]methanethiol has a molecular weight of 406.85 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2,4,6,8-tetramethyl-6,8-bis(sulfanylmethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]methanethiol is sourced from PubChem (CID 174091789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).