(5,9-dihydroxy-7-trimethylsilyloxy-2,4,6,8,10,11,12,13-octaoxa-1,3,5,7,9-pentasilatetracyclo[5.3.1.11,5.13,9]tridecan-3-yl)oxy-trimethylsilane;undecahydrate

C6H42O23Si7 — CID 110192803

IUPAC(5,9-dihydroxy-7-trimethylsilyloxy-2,4,6,8,10,11,12,13-octaoxa-1,3,5,7,9-pentasilatetracyclo[5.3.1.11,5.13,9]tridecan-3-yl)oxy-trimethylsilane;undecahydrate
SMILESC[Si](C)(C)O[Si]12O[Si]3(O)O[Si]4(O[Si](C)(C)C)O[Si](O)(O1)O[Si](O3)(O2)O4.O.O.O.O.O.O.O.O.O.O.O
InChIInChI=1S/C6H20O12Si7.11H2O/c1-19(2,3)9-23-11-21(7)13-24(10-20(4,5)6)14-22(8,12-23)16-25(15-21,17-23)18-24;;;;;;;;;;;/h7-8H,1-6H3;11*1H2
InChIKeyWEDYICXDLNMCRF-UHFFFAOYSA-N
MW678.98 g/mol
LogP-10.03
Rot. Bonds4

About (5,9-dihydroxy-7-trimethylsilyloxy-2,4,6,8,10,11,12,13-octaoxa-1,3,5,7,9-pentasilatetracyclo[5.3.1.11,5.13,9]tridecan-3-yl)oxy-trimethylsilane;undecahydrate

(5,9-dihydroxy-7-trimethylsilyloxy-2,4,6,8,10,11,12,13-octaoxa-1,3,5,7,9-pentasilatetracyclo[5.3.1.11,5.13,9]tridecan-3-yl)oxy-trimethylsilane;undecahydrate (PubChem CID 110192803) has the molecular formula C6H42O23Si7 and a molecular weight of 678.98 g/mol. Its IUPAC name is (5,9-dihydroxy-7-trimethylsilyloxy-2,4,6,8,10,11,12,13-octaoxa-1,3,5,7,9-pentasilatetracyclo[5.3.1.11,5.13,9]tridecan-3-yl)oxy-trimethylsilane;undecahydrate.

Molecular Properties

Compound Name(5,9-dihydroxy-7-trimethylsilyloxy-2,4,6,8,10,11,12,13-octaoxa-1,3,5,7,9-pentasilatetracyclo[5.3.1.11,5.13,9]tridecan-3-yl)oxy-trimethylsilane;undecahydrate
PubChem CID110192803
Molecular FormulaC6H42O23Si7
Molecular Weight678.98 g/mol
Exact Mass678.05
IUPAC Name(5,9-dihydroxy-7-trimethylsilyloxy-2,4,6,8,10,11,12,13-octaoxa-1,3,5,7,9-pentasilatetracyclo[5.3.1.11,5.13,9]tridecan-3-yl)oxy-trimethylsilane;undecahydrate
SMILESC[Si](C)(C)O[Si]12O[Si]3(O)O[Si]4(O[Si](C)(C)C)O[Si](O)(O1)O[Si](O3)(O2)O4.O.O.O.O.O.O.O.O.O.O.O
InChIInChI=1S/C6H20O12Si7.11H2O/c1-19(2,3)9-23-11-21(7)13-24(10-20(4,5)6)14-22(8,12-23)16-25(15-21,17-23)18-24;;;;;;;;;;;/h7-8H,1-6H3;11*1H2
InChIKeyWEDYICXDLNMCRF-UHFFFAOYSA-N
XLogP-10.03
TPSA479.26 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.98
LogP ≤ 5-10.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5,9-dihydroxy-7-trimethylsilyloxy-2,4,6,8,10,11,12,13-octaoxa-1,3,5,7,9-pentasilatetracyclo[5.3.1.11,5.13,9]tridecan-3-yl)oxy-trimethylsilane;undecahydrate?
The IUPAC name of (5,9-dihydroxy-7-trimethylsilyloxy-2,4,6,8,10,11,12,13-octaoxa-1,3,5,7,9-pentasilatetracyclo[5.3.1.11,5.13,9]tridecan-3-yl)oxy-trimethylsilane;undecahydrate (CID 110192803) is (5,9-dihydroxy-7-trimethylsilyloxy-2,4,6,8,10,11,12,13-octaoxa-1,3,5,7,9-pentasilatetracyclo[5.3.1.11,5.13,9]tridecan-3-yl)oxy-trimethylsilane;undecahydrate.
What is the SMILES notation for (5,9-dihydroxy-7-trimethylsilyloxy-2,4,6,8,10,11,12,13-octaoxa-1,3,5,7,9-pentasilatetracyclo[5.3.1.11,5.13,9]tridecan-3-yl)oxy-trimethylsilane;undecahydrate?
The canonical SMILES for (5,9-dihydroxy-7-trimethylsilyloxy-2,4,6,8,10,11,12,13-octaoxa-1,3,5,7,9-pentasilatetracyclo[5.3.1.11,5.13,9]tridecan-3-yl)oxy-trimethylsilane;undecahydrate is C[Si](C)(C)O[Si]12O[Si]3(O)O[Si]4(O[Si](C)(C)C)O[Si](O)(O1)O[Si](O3)(O2)O4.O.O.O.O.O.O.O.O.O.O.O.
What is the InChIKey of (5,9-dihydroxy-7-trimethylsilyloxy-2,4,6,8,10,11,12,13-octaoxa-1,3,5,7,9-pentasilatetracyclo[5.3.1.11,5.13,9]tridecan-3-yl)oxy-trimethylsilane;undecahydrate?
The InChIKey is WEDYICXDLNMCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H20O12Si7.11H2O/c1-19(2,3)9-23-11-21(7)13-24(10-20(4,5)6)14-22(8,12-23)16-25(15-21,17-23)18-24;;;;;;;;;;;/h7-8H,1-6H3;11*1H2.
What are the key properties of (5,9-dihydroxy-7-trimethylsilyloxy-2,4,6,8,10,11,12,13-octaoxa-1,3,5,7,9-pentasilatetracyclo[5.3.1.11,5.13,9]tridecan-3-yl)oxy-trimethylsilane;undecahydrate?
(5,9-dihydroxy-7-trimethylsilyloxy-2,4,6,8,10,11,12,13-octaoxa-1,3,5,7,9-pentasilatetracyclo[5.3.1.11,5.13,9]tridecan-3-yl)oxy-trimethylsilane;undecahydrate has a molecular weight of 678.98 g/mol, XLogP of -10.03, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (5,9-dihydroxy-7-trimethylsilyloxy-2,4,6,8,10,11,12,13-octaoxa-1,3,5,7,9-pentasilatetracyclo[5.3.1.11,5.13,9]tridecan-3-yl)oxy-trimethylsilane;undecahydrate is sourced from PubChem (CID 110192803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).