trimethoxy-[3,7,14-trihydroxy-1,3,5,7,9,14-hexakis(trimethoxysilyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-11-yl]silane

C21H66O33Si14 — CID 102321839

IUPACtrimethoxy-[3,7,14-trihydroxy-1,3,5,7,9,14-hexakis(trimethoxysilyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-11-yl]silane
SMILESCO[Si](OC)(OC)[Si]1(O)O[Si]2([Si](OC)(OC)OC)O[Si](O)([Si](OC)(OC)OC)O[Si]3([Si](OC)(OC)OC)O[Si](O)([Si](OC)(OC)OC)O[Si]([Si](OC)(OC)OC)(O1)O[Si]([Si](OC)(OC)OC)(O2)O3
InChIInChI=1S/C21H66O33Si14/c1-25-58(26-2,27-3)55(22)46-65(61(34-10,35-11)36-12)48-56(23,59(28-4,29-5)30-6)50-67(63(40-16,41-17)42-18)51-57(24,60(31-7,32-8)33-9)49-66(47-55,62(37-13,38-14)39-15)53-68(52-65,54-67)64(43-19,44-20)45-21/h22-24H,1-21H3
InChIKeyUTAMVAVSDINQLT-UHFFFAOYSA-N
MW1239.93 g/mol
LogP-5.58
Rot. Bonds28

About trimethoxy-[3,7,14-trihydroxy-1,3,5,7,9,14-hexakis(trimethoxysilyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-11-yl]silane

trimethoxy-[3,7,14-trihydroxy-1,3,5,7,9,14-hexakis(trimethoxysilyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-11-yl]silane (PubChem CID 102321839) has the molecular formula C21H66O33Si14 and a molecular weight of 1239.93 g/mol. Its IUPAC name is trimethoxy-[3,7,14-trihydroxy-1,3,5,7,9,14-hexakis(trimethoxysilyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-11-yl]silane.

Molecular Properties

Compound Nametrimethoxy-[3,7,14-trihydroxy-1,3,5,7,9,14-hexakis(trimethoxysilyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-11-yl]silane
PubChem CID102321839
Molecular FormulaC21H66O33Si14
Molecular Weight1239.93 g/mol
Exact Mass1238.03
IUPAC Nametrimethoxy-[3,7,14-trihydroxy-1,3,5,7,9,14-hexakis(trimethoxysilyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-11-yl]silane
SMILESCO[Si](OC)(OC)[Si]1(O)O[Si]2([Si](OC)(OC)OC)O[Si](O)([Si](OC)(OC)OC)O[Si]3([Si](OC)(OC)OC)O[Si](O)([Si](OC)(OC)OC)O[Si]([Si](OC)(OC)OC)(O1)O[Si]([Si](OC)(OC)OC)(O2)O3
InChIInChI=1S/C21H66O33Si14/c1-25-58(26-2,27-3)55(22)46-65(61(34-10,35-11)36-12)48-56(23,59(28-4,29-5)30-6)50-67(63(40-16,41-17)42-18)51-57(24,60(31-7,32-8)33-9)49-66(47-55,62(37-13,38-14)39-15)53-68(52-65,54-67)64(43-19,44-20)45-21/h22-24H,1-21H3
InChIKeyUTAMVAVSDINQLT-UHFFFAOYSA-N
XLogP-5.58
TPSA337.59 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds28
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001239.93
LogP ≤ 5-5.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze trimethoxy-[3,7,14-trihydroxy-1,3,5,7,9,14-hexakis(trimethoxysilyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-11-yl]silane with MolForge

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Related Compounds

hydroxy-methoxy-[methoxy-methyl-[(3,5,13,23-tetrahydroxy-9,15-dimethoxy-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecamethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,27,28,29-hexadecaoxa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecasilatetracyclo[17.7.1.17,11.121,25]nonacosan-17-yl)oxy]silyl]oxy-methylsilane
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hydroxy-(hydroxy-methoxy-methylsilyl)oxy-methoxy-methylsilane;zinc
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hydroxysilane;methoxy(trimethyl)silane
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bis[[dimethoxy(methyl)silyl]oxy]-[(8-hydroxy-4,6,10,12-tetramethoxy-2,4,6,8,10,12-hexamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)oxy]-methylsilane
CID 140741024
hydroxy-[hydroxy(dimethyl)silyl]oxy-methoxy-methylsilane
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[dihydroxy(methyl)silyl]oxy-dimethoxy-methylsilane
CID 102353910
tris[[dimethoxy(methyl)silyl]oxy]-methylsilane
CID 18724378
trimethoxy(methyl)silane thiohypoiodite
CID 158923969
bis[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy]-dimethylsilane
CID 23370780
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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hydroxy-dimethoxy-[methoxy(dimethyl)silyl]oxysilane
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hydroxy-methoxy-oxosilane;tetramethyl silicate
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Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3,7,14-trihydroxy-1,3,5,7,9,14-hexakis(trimethoxysilyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-11-yl]silane?
The IUPAC name of trimethoxy-[3,7,14-trihydroxy-1,3,5,7,9,14-hexakis(trimethoxysilyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-11-yl]silane (CID 102321839) is trimethoxy-[3,7,14-trihydroxy-1,3,5,7,9,14-hexakis(trimethoxysilyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-11-yl]silane.
What is the SMILES notation for trimethoxy-[3,7,14-trihydroxy-1,3,5,7,9,14-hexakis(trimethoxysilyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-11-yl]silane?
The canonical SMILES for trimethoxy-[3,7,14-trihydroxy-1,3,5,7,9,14-hexakis(trimethoxysilyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-11-yl]silane is CO[Si](OC)(OC)[Si]1(O)O[Si]2([Si](OC)(OC)OC)O[Si](O)([Si](OC)(OC)OC)O[Si]3([Si](OC)(OC)OC)O[Si](O)([Si](OC)(OC)OC)O[Si]([Si](OC)(OC)OC)(O1)O[Si]([Si](OC)(OC)OC)(O2)O3.
What is the InChIKey of trimethoxy-[3,7,14-trihydroxy-1,3,5,7,9,14-hexakis(trimethoxysilyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-11-yl]silane?
The InChIKey is UTAMVAVSDINQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H66O33Si14/c1-25-58(26-2,27-3)55(22)46-65(61(34-10,35-11)36-12)48-56(23,59(28-4,29-5)30-6)50-67(63(40-16,41-17)42-18)51-57(24,60(31-7,32-8)33-9)49-66(47-55,62(37-13,38-14)39-15)53-68(52-65,54-67)64(43-19,44-20)45-21/h22-24H,1-21H3.
What are the key properties of trimethoxy-[3,7,14-trihydroxy-1,3,5,7,9,14-hexakis(trimethoxysilyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-11-yl]silane?
trimethoxy-[3,7,14-trihydroxy-1,3,5,7,9,14-hexakis(trimethoxysilyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-11-yl]silane has a molecular weight of 1239.93 g/mol, XLogP of -5.58, 28 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3,7,14-trihydroxy-1,3,5,7,9,14-hexakis(trimethoxysilyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-11-yl]silane is sourced from PubChem (CID 102321839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).