7,13-dibutoxy-1,3,5,7,9,11,13,15-octaethyl-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

C24H58O13Si8 — CID 545316

IUPAC7,13-dibutoxy-1,3,5,7,9,11,13,15-octaethyl-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
SMILESCCCCO[Si]1(CC)O[Si]2(CC)O[Si]3(CC)O[Si](CC)(OCCCC)O[Si]4(CC)O[Si](CC)(O1)O[Si](CC)(O2)O[Si](CC)(O3)O4
InChIInChI=1S/C24H58O13Si8/c1-11-21-23-25-38(13-3)27-40(15-5)31-42(17-7)29-39(14-4,26-24-22-12-2)30-43(18-8)32-41(16-6,28-38)34-44(19-9,33-40)37-45(20-10,35-42)36-43/h11-24H2,1-10H3
InChIKeyIUGJGQXTDQSTMF-UHFFFAOYSA-N
MW779.40 g/mol
LogP6.53
Rot. Bonds16

About 7,13-dibutoxy-1,3,5,7,9,11,13,15-octaethyl-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-dibutoxy-1,3,5,7,9,11,13,15-octaethyl-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 545316) has the molecular formula C24H58O13Si8 and a molecular weight of 779.40 g/mol. Its IUPAC name is 7,13-dibutoxy-1,3,5,7,9,11,13,15-octaethyl-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-dibutoxy-1,3,5,7,9,11,13,15-octaethyl-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 CID545316
Molecular FormulaC24H58O13Si8
Molecular Weight779.40 g/mol
Exact Mass778.20
IUPAC Name7,13-dibutoxy-1,3,5,7,9,11,13,15-octaethyl-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
SMILESCCCCO[Si]1(CC)O[Si]2(CC)O[Si]3(CC)O[Si](CC)(OCCCC)O[Si]4(CC)O[Si](CC)(O1)O[Si](CC)(O2)O[Si](CC)(O3)O4
InChIInChI=1S/C24H58O13Si8/c1-11-21-23-25-38(13-3)27-40(15-5)31-42(17-7)29-39(14-4,26-24-22-12-2)30-43(18-8)32-41(16-6,28-38)34-44(19-9,33-40)37-45(20-10,35-42)36-43/h11-24H2,1-10H3
InChIKeyIUGJGQXTDQSTMF-UHFFFAOYSA-N
XLogP6.53
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500779.40
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 7,13-dibutoxy-1,3,5,7,9,11,13,15-octaethyl-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-dibutoxy-1,3,5,7,9,11,13,15-octaethyl-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-dibutoxy-1,3,5,7,9,11,13,15-octaethyl-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 545316) is 7,13-dibutoxy-1,3,5,7,9,11,13,15-octaethyl-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-dibutoxy-1,3,5,7,9,11,13,15-octaethyl-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-dibutoxy-1,3,5,7,9,11,13,15-octaethyl-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 CCCCO[Si]1(CC)O[Si]2(CC)O[Si]3(CC)O[Si](CC)(OCCCC)O[Si]4(CC)O[Si](CC)(O1)O[Si](CC)(O2)O[Si](CC)(O3)O4.
What is the InChIKey of 7,13-dibutoxy-1,3,5,7,9,11,13,15-octaethyl-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 IUGJGQXTDQSTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H58O13Si8/c1-11-21-23-25-38(13-3)27-40(15-5)31-42(17-7)29-39(14-4,26-24-22-12-2)30-43(18-8)32-41(16-6,28-38)34-44(19-9,33-40)37-45(20-10,35-42)36-43/h11-24H2,1-10H3.
What are the key properties of 7,13-dibutoxy-1,3,5,7,9,11,13,15-octaethyl-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-dibutoxy-1,3,5,7,9,11,13,15-octaethyl-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 779.40 g/mol, XLogP of 6.53, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7,13-dibutoxy-1,3,5,7,9,11,13,15-octaethyl-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 545316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).