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

C40H74O13Si8 — CID 4080431

IUPAC1,3,5,7,9,11,13,15-octacyclopentyl-7,13-dihydroxy-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
SMILESO[Si]1(C2CCCC2)O[Si]2(C3CCCC3)O[Si]3(C4CCCC4)O[Si](O)(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si](C1CCCC1)(O2)O[Si](C1CCCC1)(O3)O4
InChIInChI=1S/C40H74O13Si8/c41-54(33-17-1-2-18-33)43-56(35-21-5-6-22-35)47-58(37-25-9-10-26-37)45-55(42,34-19-3-4-20-34)46-59(38-27-11-12-28-38)48-57(44-54,36-23-7-8-24-36)50-60(49-56,39-29-13-14-30-39)53-61(51-58,52-59)40-31-15-16-32-40/h33-42H,1-32H2
InChIKeyGMDAGRSITADPEU-UHFFFAOYSA-N
MW987.71 g/mol
LogP10.27
Rot. Bonds8

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

1,3,5,7,9,11,13,15-octacyclopentyl-7,13-dihydroxy-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 (PubChem CID 4080431) has the molecular formula C40H74O13Si8 and a molecular weight of 987.71 g/mol. Its IUPAC name is 1,3,5,7,9,11,13,15-octacyclopentyl-7,13-dihydroxy-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.

Molecular Properties

Compound Name1,3,5,7,9,11,13,15-octacyclopentyl-7,13-dihydroxy-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
PubChem CID4080431
Molecular FormulaC40H74O13Si8
Molecular Weight987.71 g/mol
Exact Mass986.33
IUPAC Name1,3,5,7,9,11,13,15-octacyclopentyl-7,13-dihydroxy-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
SMILESO[Si]1(C2CCCC2)O[Si]2(C3CCCC3)O[Si]3(C4CCCC4)O[Si](O)(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si](C1CCCC1)(O2)O[Si](C1CCCC1)(O3)O4
InChIInChI=1S/C40H74O13Si8/c41-54(33-17-1-2-18-33)43-56(35-21-5-6-22-35)47-58(37-25-9-10-26-37)45-55(42,34-19-3-4-20-34)46-59(38-27-11-12-28-38)48-57(44-54,36-23-7-8-24-36)50-60(49-56,39-29-13-14-30-39)53-61(51-58,52-59)40-31-15-16-32-40/h33-42H,1-32H2
InChIKeyGMDAGRSITADPEU-UHFFFAOYSA-N
XLogP10.27
TPSA141.99 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500987.71
LogP ≤ 510.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1,3,5,7,9,11,13,15-octacyclopentyl-7,13-dihydroxy-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9,11,13,15-octacyclopentyl-7,13-dihydroxy-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?
The IUPAC name of 1,3,5,7,9,11,13,15-octacyclopentyl-7,13-dihydroxy-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 4080431) is 1,3,5,7,9,11,13,15-octacyclopentyl-7,13-dihydroxy-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.
What is the SMILES notation for 1,3,5,7,9,11,13,15-octacyclopentyl-7,13-dihydroxy-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?
The canonical SMILES for 1,3,5,7,9,11,13,15-octacyclopentyl-7,13-dihydroxy-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 is O[Si]1(C2CCCC2)O[Si]2(C3CCCC3)O[Si]3(C4CCCC4)O[Si](O)(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si](C1CCCC1)(O2)O[Si](C1CCCC1)(O3)O4.
What is the InChIKey of 1,3,5,7,9,11,13,15-octacyclopentyl-7,13-dihydroxy-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?
The InChIKey is GMDAGRSITADPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H74O13Si8/c41-54(33-17-1-2-18-33)43-56(35-21-5-6-22-35)47-58(37-25-9-10-26-37)45-55(42,34-19-3-4-20-34)46-59(38-27-11-12-28-38)48-57(44-54,36-23-7-8-24-36)50-60(49-56,39-29-13-14-30-39)53-61(51-58,52-59)40-31-15-16-32-40/h33-42H,1-32H2.
What are the key properties of 1,3,5,7,9,11,13,15-octacyclopentyl-7,13-dihydroxy-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?
1,3,5,7,9,11,13,15-octacyclopentyl-7,13-dihydroxy-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 has a molecular weight of 987.71 g/mol, XLogP of 10.27, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9,11,13,15-octacyclopentyl-7,13-dihydroxy-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 is sourced from PubChem (CID 4080431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).