1,3,5,7,9,11,13,15,17,19-decakis(2-methylpropyl)-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane

C40H90O15Si10 — CID 139045096

IUPAC1,3,5,7,9,11,13,15,17,19-decakis(2-methylpropyl)-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane
SMILESCC(C)C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O4)O[Si]4(CC(C)C)O[Si](CC(C)C)(O[Si](CC(C)C)(O[Si](CC(C)C)(O3)O4)O2)O1
InChIInChI=1S/C40H90O15Si10/c1-31(2)21-56-41-57(22-32(3)4)48-60(25-35(9)10)42-58(46-56,23-33(5)6)50-62(27-37(13)14)44-64(52-60,29-39(17)18)55-65(30-40(19)20)45-63(54-62,28-38(15)16)51-59(47-56,24-34(7)8)43-61(49-57,53-65)26-36(11)12/h31-40H,21-30H2,1-20H3
InChIKeyATYHNMIVYHTMLD-UHFFFAOYSA-N
MW1092.00 g/mol
LogP11.27
Rot. Bonds20

About 1,3,5,7,9,11,13,15,17,19-decakis(2-methylpropyl)-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane

1,3,5,7,9,11,13,15,17,19-decakis(2-methylpropyl)-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane (PubChem CID 139045096) has the molecular formula C40H90O15Si10 and a molecular weight of 1092.00 g/mol. Its IUPAC name is 1,3,5,7,9,11,13,15,17,19-decakis(2-methylpropyl)-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane.

Molecular Properties

Compound Name1,3,5,7,9,11,13,15,17,19-decakis(2-methylpropyl)-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane
PubChem CID139045096
Molecular FormulaC40H90O15Si10
Molecular Weight1092.00 g/mol
Exact Mass1090.40
IUPAC Name1,3,5,7,9,11,13,15,17,19-decakis(2-methylpropyl)-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane
SMILESCC(C)C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O4)O[Si]4(CC(C)C)O[Si](CC(C)C)(O[Si](CC(C)C)(O[Si](CC(C)C)(O3)O4)O2)O1
InChIInChI=1S/C40H90O15Si10/c1-31(2)21-56-41-57(22-32(3)4)48-60(25-35(9)10)42-58(46-56,23-33(5)6)50-62(27-37(13)14)44-64(52-60,29-39(17)18)55-65(30-40(19)20)45-63(54-62,28-38(15)16)51-59(47-56,24-34(7)8)43-61(49-57,53-65)26-36(11)12/h31-40H,21-30H2,1-20H3
InChIKeyATYHNMIVYHTMLD-UHFFFAOYSA-N
XLogP11.27
TPSA138.45 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001092.00
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1,3,5,7,9,11,13,15,17,19-decakis(2-methylpropyl)-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9,11,13,15,17,19-decakis(2-methylpropyl)-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane?
The IUPAC name of 1,3,5,7,9,11,13,15,17,19-decakis(2-methylpropyl)-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane (CID 139045096) is 1,3,5,7,9,11,13,15,17,19-decakis(2-methylpropyl)-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane.
What is the SMILES notation for 1,3,5,7,9,11,13,15,17,19-decakis(2-methylpropyl)-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane?
The canonical SMILES for 1,3,5,7,9,11,13,15,17,19-decakis(2-methylpropyl)-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane is CC(C)C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O4)O[Si]4(CC(C)C)O[Si](CC(C)C)(O[Si](CC(C)C)(O[Si](CC(C)C)(O3)O4)O2)O1.
What is the InChIKey of 1,3,5,7,9,11,13,15,17,19-decakis(2-methylpropyl)-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane?
The InChIKey is ATYHNMIVYHTMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H90O15Si10/c1-31(2)21-56-41-57(22-32(3)4)48-60(25-35(9)10)42-58(46-56,23-33(5)6)50-62(27-37(13)14)44-64(52-60,29-39(17)18)55-65(30-40(19)20)45-63(54-62,28-38(15)16)51-59(47-56,24-34(7)8)43-61(49-57,53-65)26-36(11)12/h31-40H,21-30H2,1-20H3.
What are the key properties of 1,3,5,7,9,11,13,15,17,19-decakis(2-methylpropyl)-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane?
1,3,5,7,9,11,13,15,17,19-decakis(2-methylpropyl)-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane has a molecular weight of 1092.00 g/mol, XLogP of 11.27, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9,11,13,15,17,19-decakis(2-methylpropyl)-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane is sourced from PubChem (CID 139045096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).