tetrakis(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) silicate

C28H84O20Si17 — CID 18967232

IUPACtetrakis(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) silicate
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(O[Si](O[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)(O[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)O[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)O[Si](C)(C)O1
InChIInChI=1S/C28H84O20Si17/c1-49(2)29-53(9,10)37-61(25,38-54(11,12)30-49)45-65(46-62(26)39-55(13,14)31-50(3,4)32-56(15,16)40-62,47-63(27)41-57(17,18)33-51(5,6)34-58(19,20)42-63)48-64(28)43-59(21,22)35-52(7,8)36-60(23,24)44-64/h1-28H3
InChIKeySZGCPAZWOZCWKI-UHFFFAOYSA-N
MW1218.42 g/mol
LogP8.50
Rot. Bonds8

About tetrakis(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) silicate

tetrakis(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) silicate (PubChem CID 18967232) has the molecular formula C28H84O20Si17 and a molecular weight of 1218.42 g/mol. Its IUPAC name is tetrakis(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) silicate.

Molecular Properties

Compound Nametetrakis(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) silicate
PubChem CID18967232
Molecular FormulaC28H84O20Si17
Molecular Weight1218.42 g/mol
Exact Mass1216.16
IUPAC Nametetrakis(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) silicate
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(O[Si](O[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)(O[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)O[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)O[Si](C)(C)O1
InChIInChI=1S/C28H84O20Si17/c1-49(2)29-53(9,10)37-61(25,38-54(11,12)30-49)45-65(46-62(26)39-55(13,14)31-50(3,4)32-56(15,16)40-62,47-63(27)41-57(17,18)33-51(5,6)34-58(19,20)42-63)48-64(28)43-59(21,22)35-52(7,8)36-60(23,24)44-64/h1-28H3
InChIKeySZGCPAZWOZCWKI-UHFFFAOYSA-N
XLogP8.50
TPSA184.60 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001218.42
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46,48,48,50,50,52,52,54,54,56,56,58,58-octapentacontamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-nonacosaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosasilacyclooctapentacontane
CID 528782
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane
CID 519600
2,2,4,4-tetramethyl-1,3,2,4-dioxadisiletane;trimethyl(trimethylsilyloxy)silane
CID 160640926
argon;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;hydrate
CID 87986971
CID 59420098
CID 59420098
CID 20681863
CID 20681863
[dimethyl-[(2,4,6,6,8-pentamethyl-4-trimethylsilyloxy-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy]silyl]oxy-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)oxy-dimethylsilyl]oxy-dimethylsilane
CID 123408285
(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) 2-methylprop-2-enoate
CID 69400493
2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane;methyl(methylsilyloxy)silane
CID 157123096
1,3,3,5,5,7-hexamethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[5.1.1]nonane
CID 102334800
2,2,4,4-tetramethoxy-6,6,8,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 68717836
(1R,3R,5R,7R)-3,5-dimethoxy-1,3,5,7,9,9,11,11-octamethyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane
CID 160716775

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) silicate?
The IUPAC name of tetrakis(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) silicate (CID 18967232) is tetrakis(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) silicate.
What is the SMILES notation for tetrakis(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) silicate?
The canonical SMILES for tetrakis(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) silicate is C[Si]1(C)O[Si](C)(C)O[Si](C)(O[Si](O[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)(O[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)O[Si]2(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O2)O[Si](C)(C)O1.
What is the InChIKey of tetrakis(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) silicate?
The InChIKey is SZGCPAZWOZCWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H84O20Si17/c1-49(2)29-53(9,10)37-61(25,38-54(11,12)30-49)45-65(46-62(26)39-55(13,14)31-50(3,4)32-56(15,16)40-62,47-63(27)41-57(17,18)33-51(5,6)34-58(19,20)42-63)48-64(28)43-59(21,22)35-52(7,8)36-60(23,24)44-64/h1-28H3.
What are the key properties of tetrakis(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) silicate?
tetrakis(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) silicate has a molecular weight of 1218.42 g/mol, XLogP of 8.50, 8 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) silicate is sourced from PubChem (CID 18967232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).