(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

C10H30O9Si6 — CID 160716775

IUPAC(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
SMILESCO[Si@]1(C)O[Si@@](C)(OC)O[Si@@]2(C)O[Si](C)(C)O[Si](C)(C)O[Si@](C)(O1)O2
InChIInChI=1S/C10H30O9Si6/c1-11-22(7)16-23(8,12-2)18-25(10)15-21(5,6)13-20(3,4)14-24(9,17-22)19-25/h1-10H3/t22-,23-,24-,25-/m1/s1
InChIKeyRSOMQAICICWDMK-ZGFBMJKBSA-N
MW462.86 g/mol
LogP2.10
Rot. Bonds2

About (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

(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 (PubChem CID 160716775) has the molecular formula C10H30O9Si6 and a molecular weight of 462.86 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID160716775
Molecular FormulaC10H30O9Si6
Molecular Weight462.86 g/mol
Exact Mass462.05
IUPAC Name(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
SMILESCO[Si@]1(C)O[Si@@](C)(OC)O[Si@@]2(C)O[Si](C)(C)O[Si](C)(C)O[Si@](C)(O1)O2
InChIInChI=1S/C10H30O9Si6/c1-11-22(7)16-23(8,12-2)18-25(10)15-21(5,6)13-20(3,4)14-24(9,17-22)19-25/h1-10H3/t22-,23-,24-,25-/m1/s1
InChIKeyRSOMQAICICWDMK-ZGFBMJKBSA-N
XLogP2.10
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.86
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CO[Si@]1(C)O[Si@@](C)(OC)O[Si@@]2(C)O[Si](C)(C)O[Si](C)(C)O[Si@](C)(O1)O2.
What is the InChIKey of (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?
The InChIKey is RSOMQAICICWDMK-ZGFBMJKBSA-N. The full InChI is InChI=1S/C10H30O9Si6/c1-11-22(7)16-23(8,12-2)18-25(10)15-21(5,6)13-20(3,4)14-24(9,17-22)19-25/h1-10H3/t22-,23-,24-,25-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 462.86 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 160716775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).