7,13-dihydroxy-1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-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

C32H74O13Si8 — CID 5071479

IUPAC7,13-dihydroxy-1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-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
SMILESCC(C)C[Si]1(O)O[Si]2(CC(C)C)O[Si]3(CC(C)C)O[Si](O)(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O4
InChIInChI=1S/C32H74O13Si8/c1-25(2)17-46(33)35-48(19-27(5)6)39-50(21-29(9)10)37-47(34,18-26(3)4)38-51(22-30(11)12)40-49(36-46,20-28(7)8)42-52(41-48,23-31(13)14)45-53(43-50,44-51)24-32(15)16/h25-34H,17-24H2,1-16H3
InChIKeyZJILJEYGMBWQKZ-UHFFFAOYSA-N
MW891.62 g/mol
LogP7.97
Rot. Bonds16

About 7,13-dihydroxy-1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-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

7,13-dihydroxy-1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-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 5071479) has the molecular formula C32H74O13Si8 and a molecular weight of 891.62 g/mol. Its IUPAC name is 7,13-dihydroxy-1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-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 Name7,13-dihydroxy-1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-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 CID5071479
Molecular FormulaC32H74O13Si8
Molecular Weight891.62 g/mol
Exact Mass890.33
IUPAC Name7,13-dihydroxy-1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-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
SMILESCC(C)C[Si]1(O)O[Si]2(CC(C)C)O[Si]3(CC(C)C)O[Si](O)(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O4
InChIInChI=1S/C32H74O13Si8/c1-25(2)17-46(33)35-48(19-27(5)6)39-50(21-29(9)10)37-47(34,18-26(3)4)38-51(22-30(11)12)40-49(36-46,20-28(7)8)42-52(41-48,23-31(13)14)45-53(43-50,44-51)24-32(15)16/h25-34H,17-24H2,1-16H3
InChIKeyZJILJEYGMBWQKZ-UHFFFAOYSA-N
XLogP7.97
TPSA141.99 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500891.62
LogP ≤ 57.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 7,13-dihydroxy-1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-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 7,13-dihydroxy-1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-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 7,13-dihydroxy-1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-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 5071479) is 7,13-dihydroxy-1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-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 7,13-dihydroxy-1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-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 7,13-dihydroxy-1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-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 CC(C)C[Si]1(O)O[Si]2(CC(C)C)O[Si]3(CC(C)C)O[Si](O)(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O4.
What is the InChIKey of 7,13-dihydroxy-1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-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 ZJILJEYGMBWQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H74O13Si8/c1-25(2)17-46(33)35-48(19-27(5)6)39-50(21-29(9)10)37-47(34,18-26(3)4)38-51(22-30(11)12)40-49(36-46,20-28(7)8)42-52(41-48,23-31(13)14)45-53(43-50,44-51)24-32(15)16/h25-34H,17-24H2,1-16H3.
What are the key properties of 7,13-dihydroxy-1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-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?
7,13-dihydroxy-1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-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 891.62 g/mol, XLogP of 7.97, 16 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7,13-dihydroxy-1,3,5,7,9,11,13,15-octakis(2-methylpropyl)-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 5071479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).