CID 177454225

C36H108O24Si24 — CID 177454225

IUPAC—
SMILESC[Si](C)O[Si]1(C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O1
InChIInChI=1S/C36H108O24Si24/c1-61(2)37-73(25)49-74(26,38-62(3)4)51-76(28,40-64(7)8)53-78(30,42-66(11)12)55-80(32,44-68(15)16)57-82(34,46-70(19)20)59-84(36,48-72(23)24)60-83(35,47-71(21)22)58-81(33,45-69(17)18)56-79(31,43-67(13)14)54-77(29,41-65(9)10)52-75(27,50-73)39-63(5)6/h1-36H3
InChIKeyHONKJIQTMRKRDF-UHFFFAOYSA-N
MW1599.30 g/mol
LogP10.24
Rot. Bonds24

About CID 177454225

CID 177454225 (PubChem CID 177454225) has the molecular formula C36H108O24Si24 and a molecular weight of 1599.30 g/mol.

Molecular Properties

Compound NameCID 177454225
PubChem CID177454225
Molecular FormulaC36H108O24Si24
Molecular Weight1599.30 g/mol
Exact Mass1596.17
IUPAC Name—
SMILESC[Si](C)O[Si]1(C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O1
InChIInChI=1S/C36H108O24Si24/c1-61(2)37-73(25)49-74(26,38-62(3)4)51-76(28,40-64(7)8)53-78(30,42-66(11)12)55-80(32,44-68(15)16)57-82(34,46-70(19)20)59-84(36,48-72(23)24)60-83(35,47-71(21)22)58-81(33,45-69(17)18)56-79(31,43-67(13)14)54-77(29,41-65(9)10)52-75(27,50-73)39-63(5)6/h1-36H3
InChIKeyHONKJIQTMRKRDF-UHFFFAOYSA-N
XLogP10.24
TPSA221.52 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001599.30
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Related Compounds

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2,4-dihydroxy-6,8-dimethoxy-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;trihydroxy(methyl)silane
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(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
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
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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
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tetrakis(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) silicate
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CID 157258368
CID 157258368

Frequently Asked Questions

What is the IUPAC name of CID 177454225?
The IUPAC name of CID 177454225 (CID 177454225) is not available.
What is the SMILES notation for CID 177454225?
The canonical SMILES for CID 177454225 is C[Si](C)O[Si]1(C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O[Si](C)(O[Si](C)C)O1.
What is the InChIKey of CID 177454225?
The InChIKey is HONKJIQTMRKRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H108O24Si24/c1-61(2)37-73(25)49-74(26,38-62(3)4)51-76(28,40-64(7)8)53-78(30,42-66(11)12)55-80(32,44-68(15)16)57-82(34,46-70(19)20)59-84(36,48-72(23)24)60-83(35,47-71(21)22)58-81(33,45-69(17)18)56-79(31,43-67(13)14)54-77(29,41-65(9)10)52-75(27,50-73)39-63(5)6/h1-36H3.
What are the key properties of CID 177454225?
CID 177454225 has a molecular weight of 1599.30 g/mol, XLogP of 10.24, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177454225 is sourced from PubChem (CID 177454225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).