3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-[methoxy(dimethyl)silyl]oxy-dimethylsilane;ethenyl-methoxy-dimethylsilane;1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane

C26H58O15Si11 — CID 157394906

IUPAC3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-[methoxy(dimethyl)silyl]oxy-dimethylsilane;ethenyl-methoxy-dimethylsilane;1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
SMILESC=C[Si](C)(C)OC.CO[Si](C)(C)O[Si](C)(C)c1ccc2c(c1)CC2.C[Si]12O[Si]3(C)O[Si]4(C)O[Si](C)(O1)O[Si]1(C)O[Si](C)(O2)O[Si](C)(O3)O[Si](C)(O4)O1
InChIInChI=1S/C13H22O2Si2.C8H24O12Si8.C5H12OSi/c1-14-17(4,5)15-16(2,3)13-9-8-11-6-7-12(11)10-13;1-21-9-22(2)12-25(5)14-23(3,10-21)16-27(7)17-24(4,11-21)15-26(6,13-22)19-28(8,18-25)20-27;1-5-7(3,4)6-2/h8-10H,6-7H2,1-5H3;1-8H3;5H,1H2,2-4H3
InChIKeyBMLKDWPQDQSZSK-UHFFFAOYSA-N
MW919.68 g/mol
LogP4.93
Rot. Bonds6

About 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-[methoxy(dimethyl)silyl]oxy-dimethylsilane;ethenyl-methoxy-dimethylsilane;1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane

3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-[methoxy(dimethyl)silyl]oxy-dimethylsilane;ethenyl-methoxy-dimethylsilane;1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane (PubChem CID 157394906) has the molecular formula C26H58O15Si11 and a molecular weight of 919.68 g/mol. Its IUPAC name is 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-[methoxy(dimethyl)silyl]oxy-dimethylsilane;ethenyl-methoxy-dimethylsilane;1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane.

Molecular Properties

Compound Name3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-[methoxy(dimethyl)silyl]oxy-dimethylsilane;ethenyl-methoxy-dimethylsilane;1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
PubChem CID157394906
Molecular FormulaC26H58O15Si11
Molecular Weight919.68 g/mol
Exact Mass918.12
IUPAC Name3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-[methoxy(dimethyl)silyl]oxy-dimethylsilane;ethenyl-methoxy-dimethylsilane;1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
SMILESC=C[Si](C)(C)OC.CO[Si](C)(C)O[Si](C)(C)c1ccc2c(c1)CC2.C[Si]12O[Si]3(C)O[Si]4(C)O[Si](C)(O1)O[Si]1(C)O[Si](C)(O2)O[Si](C)(O3)O[Si](C)(O4)O1
InChIInChI=1S/C13H22O2Si2.C8H24O12Si8.C5H12OSi/c1-14-17(4,5)15-16(2,3)13-9-8-11-6-7-12(11)10-13;1-21-9-22(2)12-25(5)14-23(3,10-21)16-27(7)17-24(4,11-21)15-26(6,13-22)19-28(8,18-25)20-27;1-5-7(3,4)6-2/h8-10H,6-7H2,1-5H3;1-8H3;5H,1H2,2-4H3
InChIKeyBMLKDWPQDQSZSK-UHFFFAOYSA-N
XLogP4.93
TPSA138.45 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.68
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-[methoxy(dimethyl)silyl]oxy-dimethylsilane;ethenyl-methoxy-dimethylsilane;1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-[methoxy(dimethyl)silyl]oxy-dimethylsilane;ethenyl-methoxy-dimethylsilane;1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?
The IUPAC name of 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-[methoxy(dimethyl)silyl]oxy-dimethylsilane;ethenyl-methoxy-dimethylsilane;1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane (CID 157394906) is 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-[methoxy(dimethyl)silyl]oxy-dimethylsilane;ethenyl-methoxy-dimethylsilane;1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane.
What is the SMILES notation for 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-[methoxy(dimethyl)silyl]oxy-dimethylsilane;ethenyl-methoxy-dimethylsilane;1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?
The canonical SMILES for 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-[methoxy(dimethyl)silyl]oxy-dimethylsilane;ethenyl-methoxy-dimethylsilane;1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane is C=C[Si](C)(C)OC.CO[Si](C)(C)O[Si](C)(C)c1ccc2c(c1)CC2.C[Si]12O[Si]3(C)O[Si]4(C)O[Si](C)(O1)O[Si]1(C)O[Si](C)(O2)O[Si](C)(O3)O[Si](C)(O4)O1.
What is the InChIKey of 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-[methoxy(dimethyl)silyl]oxy-dimethylsilane;ethenyl-methoxy-dimethylsilane;1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?
The InChIKey is BMLKDWPQDQSZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si2.C8H24O12Si8.C5H12OSi/c1-14-17(4,5)15-16(2,3)13-9-8-11-6-7-12(11)10-13;1-21-9-22(2)12-25(5)14-23(3,10-21)16-27(7)17-24(4,11-21)15-26(6,13-22)19-28(8,18-25)20-27;1-5-7(3,4)6-2/h8-10H,6-7H2,1-5H3;1-8H3;5H,1H2,2-4H3.
What are the key properties of 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-[methoxy(dimethyl)silyl]oxy-dimethylsilane;ethenyl-methoxy-dimethylsilane;1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane?
3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-[methoxy(dimethyl)silyl]oxy-dimethylsilane;ethenyl-methoxy-dimethylsilane;1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane has a molecular weight of 919.68 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-[methoxy(dimethyl)silyl]oxy-dimethylsilane;ethenyl-methoxy-dimethylsilane;1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane is sourced from PubChem (CID 157394906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).