1,3,5,7,9,11,13-heptacyclopentyl-15-hydroxy-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

C35H64O13Si8 — CID 4250459

IUPAC1,3,5,7,9,11,13-heptacyclopentyl-15-hydroxy-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
SMILESO[Si]12O[Si]3(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si]1(C5CCCC5)O[Si](C5CCCC5)(O2)O[Si](C2CCCC2)(O3)O[Si](C2CCCC2)(O4)O1
InChIInChI=1S/C35H64O13Si8/c36-56-46-53(33-23-9-10-24-33)40-50(30-17-3-4-18-30)37-49(29-15-1-2-16-29)38-51(42-53,31-19-5-6-20-31)44-55(48-56,35-27-13-14-28-35)45-52(39-49,32-21-7-8-22-32)43-54(41-50,47-56)34-25-11-12-26-34/h29-36H,1-28H2
InChIKeyDDJFRQONUBTWRZ-UHFFFAOYSA-N
MW917.57 g/mol
LogP8.86
Rot. Bonds7

About 1,3,5,7,9,11,13-heptacyclopentyl-15-hydroxy-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-heptacyclopentyl-15-hydroxy-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 4250459) has the molecular formula C35H64O13Si8 and a molecular weight of 917.57 g/mol. Its IUPAC name is 1,3,5,7,9,11,13-heptacyclopentyl-15-hydroxy-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-heptacyclopentyl-15-hydroxy-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 CID4250459
Molecular FormulaC35H64O13Si8
Molecular Weight917.57 g/mol
Exact Mass916.25
IUPAC Name1,3,5,7,9,11,13-heptacyclopentyl-15-hydroxy-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
SMILESO[Si]12O[Si]3(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si]1(C5CCCC5)O[Si](C5CCCC5)(O2)O[Si](C2CCCC2)(O3)O[Si](C2CCCC2)(O4)O1
InChIInChI=1S/C35H64O13Si8/c36-56-46-53(33-23-9-10-24-33)40-50(30-17-3-4-18-30)37-49(29-15-1-2-16-29)38-51(42-53,31-19-5-6-20-31)44-55(48-56,35-27-13-14-28-35)45-52(39-49,32-21-7-8-22-32)43-54(41-50,47-56)34-25-11-12-26-34/h29-36H,1-28H2
InChIKeyDDJFRQONUBTWRZ-UHFFFAOYSA-N
XLogP8.86
TPSA130.99 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500917.57
LogP ≤ 58.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1,3,5,7,9,11,13-heptacyclopentyl-15-hydroxy-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 1,3,5,7,9,11,13-heptacyclopentyl-15-hydroxy-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-heptacyclopentyl-15-hydroxy-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 4250459) is 1,3,5,7,9,11,13-heptacyclopentyl-15-hydroxy-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-heptacyclopentyl-15-hydroxy-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-heptacyclopentyl-15-hydroxy-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 O[Si]12O[Si]3(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si]1(C5CCCC5)O[Si](C5CCCC5)(O2)O[Si](C2CCCC2)(O3)O[Si](C2CCCC2)(O4)O1.
What is the InChIKey of 1,3,5,7,9,11,13-heptacyclopentyl-15-hydroxy-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 DDJFRQONUBTWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H64O13Si8/c36-56-46-53(33-23-9-10-24-33)40-50(30-17-3-4-18-30)37-49(29-15-1-2-16-29)38-51(42-53,31-19-5-6-20-31)44-55(48-56,35-27-13-14-28-35)45-52(39-49,32-21-7-8-22-32)43-54(41-50,47-56)34-25-11-12-26-34/h29-36H,1-28H2.
What are the key properties of 1,3,5,7,9,11,13-heptacyclopentyl-15-hydroxy-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-heptacyclopentyl-15-hydroxy-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 917.57 g/mol, XLogP of 8.86, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9,11,13-heptacyclopentyl-15-hydroxy-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 4250459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).