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

C19H62O27Si15 — CID 89469940

IUPAChydroxy-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
SMILESCO[Si](C)(O)O[Si](C)(OC)O[Si]1(C)O[Si](C)(OC)O[Si](C)(O)O[Si]2(C)O[Si](C)(OC)O[Si](C)(O[Si](C)(O)O[Si](C)(O)O[Si]3(C)O[Si]4(C)O[Si](C)(O)O[Si](C)(O4)O[Si](C)(O3)O1)O2
InChIInChI=1S/C19H62O27Si15/c1-25-47(5,20)30-52(10,26-2)37-60(18)38-53(11,27-3)31-50(8,23)34-56(14)40-54(12,28-4)39-55(13,41-56)32-48(6,21)29-49(7,22)33-57(15)42-58(16)35-51(9,24)36-59(17,43-58)45-61(19,44-57)46-60/h20-24H,1-19H3
InChIKeyXFJXFBIDWYSEKI-UHFFFAOYSA-N
MW1143.97 g/mol
LogP-0.58
Rot. Bonds8

About 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

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 (PubChem CID 89469940) has the molecular formula C19H62O27Si15 and a molecular weight of 1143.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namehydroxy-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
PubChem CID89469940
Molecular FormulaC19H62O27Si15
Molecular Weight1143.97 g/mol
Exact Mass1142.00
IUPAC Namehydroxy-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
SMILESCO[Si](C)(O)O[Si](C)(OC)O[Si]1(C)O[Si](C)(OC)O[Si](C)(O)O[Si]2(C)O[Si](C)(OC)O[Si](C)(O[Si](C)(O)O[Si](C)(O)O[Si]3(C)O[Si]4(C)O[Si](C)(O)O[Si](C)(O4)O[Si](C)(O3)O1)O2
InChIInChI=1S/C19H62O27Si15/c1-25-47(5,20)30-52(10,26-2)37-60(18)38-53(11,27-3)31-50(8,23)34-56(14)40-54(12,28-4)39-55(13,41-56)32-48(6,21)29-49(7,22)33-57(15)42-58(16)35-51(9,24)36-59(17,43-58)45-61(19,44-57)46-60/h20-24H,1-19H3
InChIKeyXFJXFBIDWYSEKI-UHFFFAOYSA-N
XLogP-0.58
TPSA304.21 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001143.97
LogP ≤ 5-0.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 89469940) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CO[Si](C)(O)O[Si](C)(OC)O[Si]1(C)O[Si](C)(OC)O[Si](C)(O)O[Si]2(C)O[Si](C)(OC)O[Si](C)(O[Si](C)(O)O[Si](C)(O)O[Si]3(C)O[Si]4(C)O[Si](C)(O)O[Si](C)(O4)O[Si](C)(O3)O1)O2.
What is the InChIKey of 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?
The InChIKey is XFJXFBIDWYSEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H62O27Si15/c1-25-47(5,20)30-52(10,26-2)37-60(18)38-53(11,27-3)31-50(8,23)34-56(14)40-54(12,28-4)39-55(13,41-56)32-48(6,21)29-49(7,22)33-57(15)42-58(16)35-51(9,24)36-59(17,43-58)45-61(19,44-57)46-60/h20-24H,1-19H3.
What are the key properties of 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?
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 has a molecular weight of 1143.97 g/mol, XLogP of -0.58, 8 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89469940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).