1,3,5,7,9,11,13-heptamethyl-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

C7H22O12Si8 — CID 123563952

IUPAC1,3,5,7,9,11,13-heptamethyl-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[Si]12O[SiH]3O[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/C7H22O12Si8/c1-21-8-20-9-22(2)13-24(4,11-21)17-27(7)18-25(5,12-21)14-23(3,10-20)16-26(6,15-22)19-27/h20H,1-7H3
InChIKeyKDOGQVFVYSPNTE-UHFFFAOYSA-N
MW522.93 g/mol
LogP-0.05
Rot. Bonds

About 1,3,5,7,9,11,13-heptamethyl-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

1,3,5,7,9,11,13-heptamethyl-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 123563952) has the molecular formula C7H22O12Si8 and a molecular weight of 522.93 g/mol. Its IUPAC name is 1,3,5,7,9,11,13-heptamethyl-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 Name1,3,5,7,9,11,13-heptamethyl-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 CID123563952
Molecular FormulaC7H22O12Si8
Molecular Weight522.93 g/mol
Exact Mass521.93
IUPAC Name1,3,5,7,9,11,13-heptamethyl-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[Si]12O[SiH]3O[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/C7H22O12Si8/c1-21-8-20-9-22(2)13-24(4,11-21)17-27(7)18-25(5,12-21)14-23(3,10-20)16-26(6,15-22)19-27/h20H,1-7H3
InChIKeyKDOGQVFVYSPNTE-UHFFFAOYSA-N
XLogP-0.05
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.93
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,3,5,7,9,11,13-heptamethyl-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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Related Compounds

1,3,5,7,9,11,13,15,25,27,29,31-dodecamethyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,34,35,36,37,38,39,40-tetracosaoxa-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecasilanonacyclo[17.13.1.13,15.15,11.17,31.19,27.113,25.117,23.121,29]tetracontane
CID 123983418
1,3,3,5,5,7-hexamethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[5.1.1]nonane
CID 102334800
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane
CID 519600
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46,48,48,50,50,52,52,54,54,56,56,58,58-octapentacontamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-nonacosaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosasilacyclooctapentacontane
CID 528782
(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
1,3,5,15-tetrakis(ethenyl)-7,9,11,13-tetramethyl-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 635965
argon;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;hydrate
CID 87986971
7-hydroxy-1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane;2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2,2,4,6,6-pentamethyl-1,2,6-oxadisilinane;tetramethylsilane
CID 161035586
[1,3,5,7,9,11,14-heptamethyl-7,14-bis(methylsilyloxy)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-methylsilane;methane
CID 161330789
N,2,4,4,6,6,8,8,10,10-decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-amine
CID 155623505
3-(3,5,7,9,11,13,15-heptamethyl-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]icosan-1-yl)propan-1-amine
CID 58718104
1,3,5,7,9,11-hexahydroxy-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane;methanol;1,3,5,7,9,11,13,15,17-nonahydroxy-19-iodo-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane;1,5,7,7,9,11,13,15-octahydroxy-13-methyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane
CID 163466917

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9,11,13-heptamethyl-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 1,3,5,7,9,11,13-heptamethyl-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 123563952) is 1,3,5,7,9,11,13-heptamethyl-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 1,3,5,7,9,11,13-heptamethyl-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 1,3,5,7,9,11,13-heptamethyl-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[Si]12O[SiH]3O[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 1,3,5,7,9,11,13-heptamethyl-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 KDOGQVFVYSPNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H22O12Si8/c1-21-8-20-9-22(2)13-24(4,11-21)17-27(7)18-25(5,12-21)14-23(3,10-20)16-26(6,15-22)19-27/h20H,1-7H3.
What are the key properties of 1,3,5,7,9,11,13-heptamethyl-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?
1,3,5,7,9,11,13-heptamethyl-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 522.93 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9,11,13-heptamethyl-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 123563952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).