1,3,5,7,9,11,13,15-octacyclopentyl-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

C40H72O12Si8 — CID 3591167

IUPAC1,3,5,7,9,11,13,15-octacyclopentyl-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
SMILESC1CCC([Si]23O[Si]4(C5CCCC5)O[Si]5(C6CCCC6)O[Si](C6CCCC6)(O2)O[Si]2(C6CCCC6)O[Si](C6CCCC6)(O3)O[Si](C3CCCC3)(O4)O[Si](C3CCCC3)(O5)O2)C1
InChIInChI=1S/C40H72O12Si8/c1-2-18-33(17-1)53-41-54(34-19-3-4-20-34)44-57(37-25-9-10-26-37)46-55(42-53,35-21-5-6-22-35)48-59(39-29-13-14-30-39)49-56(43-53,36-23-7-8-24-36)47-58(45-54,38-27-11-12-28-38)51-60(50-57,52-59)40-31-15-16-32-40/h33-40H,1-32H2
InChIKeyAGTRPNOJNNKTIV-UHFFFAOYSA-N
MW969.69 g/mol
LogP11.32
Rot. Bonds8

About 1,3,5,7,9,11,13,15-octacyclopentyl-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

1,3,5,7,9,11,13,15-octacyclopentyl-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 3591167) has the molecular formula C40H72O12Si8 and a molecular weight of 969.69 g/mol. Its IUPAC name is 1,3,5,7,9,11,13,15-octacyclopentyl-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 Name1,3,5,7,9,11,13,15-octacyclopentyl-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 CID3591167
Molecular FormulaC40H72O12Si8
Molecular Weight969.69 g/mol
Exact Mass968.32
IUPAC Name1,3,5,7,9,11,13,15-octacyclopentyl-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
SMILESC1CCC([Si]23O[Si]4(C5CCCC5)O[Si]5(C6CCCC6)O[Si](C6CCCC6)(O2)O[Si]2(C6CCCC6)O[Si](C6CCCC6)(O3)O[Si](C3CCCC3)(O4)O[Si](C3CCCC3)(O5)O2)C1
InChIInChI=1S/C40H72O12Si8/c1-2-18-33(17-1)53-41-54(34-19-3-4-20-34)44-57(37-25-9-10-26-37)46-55(42-53,35-21-5-6-22-35)48-59(39-29-13-14-30-39)49-56(43-53,36-23-7-8-24-36)47-58(45-54,38-27-11-12-28-38)51-60(50-57,52-59)40-31-15-16-32-40/h33-40H,1-32H2
InChIKeyAGTRPNOJNNKTIV-UHFFFAOYSA-N
XLogP11.32
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500969.69
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,3,5,7,9,11,13,15-octacyclopentyl-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 1,3,5,7,9,11,13,15-octacyclopentyl-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 1,3,5,7,9,11,13,15-octacyclopentyl-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 3591167) is 1,3,5,7,9,11,13,15-octacyclopentyl-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 1,3,5,7,9,11,13,15-octacyclopentyl-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 1,3,5,7,9,11,13,15-octacyclopentyl-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 C1CCC([Si]23O[Si]4(C5CCCC5)O[Si]5(C6CCCC6)O[Si](C6CCCC6)(O2)O[Si]2(C6CCCC6)O[Si](C6CCCC6)(O3)O[Si](C3CCCC3)(O4)O[Si](C3CCCC3)(O5)O2)C1.
What is the InChIKey of 1,3,5,7,9,11,13,15-octacyclopentyl-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 AGTRPNOJNNKTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H72O12Si8/c1-2-18-33(17-1)53-41-54(34-19-3-4-20-34)44-57(37-25-9-10-26-37)46-55(42-53,35-21-5-6-22-35)48-59(39-29-13-14-30-39)49-56(43-53,36-23-7-8-24-36)47-58(45-54,38-27-11-12-28-38)51-60(50-57,52-59)40-31-15-16-32-40/h33-40H,1-32H2.
What are the key properties of 1,3,5,7,9,11,13,15-octacyclopentyl-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?
1,3,5,7,9,11,13,15-octacyclopentyl-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 969.69 g/mol, XLogP of 11.32, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9,11,13,15-octacyclopentyl-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 3591167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).