1,3,5,7,9,11,13,15,17,19-decacyclopentyl-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

C100H180O30Si20 — CID 139045101

About 1,3,5,7,9,11,13,15,17,19-decacyclopentyl-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-decacyclopentyl-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 139045101) has the molecular formula C100H180O30Si20 and a molecular weight of 2424.23 g/mol. Its IUPAC name is 1,3,5,7,9,11,13,15,17,19-decacyclopentyl-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 Name: 1,3,5,7,9,11,13,15,17,19-decacyclopentyl-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: 139045101
• Molecular Formula: C100H180O30Si20
• Molecular Weight: 2424.23 g/mol
• Exact Mass: 2420.79
• IUPAC Name: 1,3,5,7,9,11,13,15,17,19-decacyclopentyl-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
• SMILES: C1CCC([Si]23O[Si]4(C5CCCC5)O[Si]5(C6CCCC6)O[Si](C6CCCC6)(O2)O[Si]2(C6CCCC6)O[Si](C6CCCC6)(O5)O[Si]5(C6CCCC6)O[Si](C6CCCC6)(O[Si](C6CCCC6)(O[Si](C6CCCC6)(O4)O5)O3)O2)C1.C1CCC([Si]23O[Si]4(C5CCCC5)O[Si]5(C6CCCC6)O[Si](C6CCCC6)(O2)O[Si]2(C6CCCC6)O[Si](C6CCCC6)(O5)O[Si]5(C6CCCC6)O[Si](C6CCCC6)(O[Si](C6CCCC6)(O[Si](C6CCCC6)(O4)O5)O3)O2)C1
• InChI: InChI=1S/2C50H90O15Si10/c2*1-2-22-41(21-1)66-51-67(42-23-3-4-24-42)58-70(45-29-9-10-30-45)52-68(56-66,43-25-5-6-26-43)60-72(47-33-13-14-34-47)54-74(62-70,49-37-17-18-38-49)65-75(50-39-19-20-40-50)55-73(64-72,48-35-15-16-36-48)61-69(57-66,44-27-7-8-28-44)53-71(59-67,63-75)46-31-11-12-32-46/h2*41-50H,1-40H2
• InChIKey: WHGXGAOOARPIDE-UHFFFAOYSA-N
• XLogP: 28.30
• TPSA: 276.90 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2424.23
LogP ≤ 5	28.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9,11,13,15,17,19-decacyclopentyl-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-decacyclopentyl-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 139045101) is 1,3,5,7,9,11,13,15,17,19-decacyclopentyl-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-decacyclopentyl-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-decacyclopentyl-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 C1CCC([Si]23O[Si]4(C5CCCC5)O[Si]5(C6CCCC6)O[Si](C6CCCC6)(O2)O[Si]2(C6CCCC6)O[Si](C6CCCC6)(O5)O[Si]5(C6CCCC6)O[Si](C6CCCC6)(O[Si](C6CCCC6)(O[Si](C6CCCC6)(O4)O5)O3)O2)C1.C1CCC([Si]23O[Si]4(C5CCCC5)O[Si]5(C6CCCC6)O[Si](C6CCCC6)(O2)O[Si]2(C6CCCC6)O[Si](C6CCCC6)(O5)O[Si]5(C6CCCC6)O[Si](C6CCCC6)(O[Si](C6CCCC6)(O[Si](C6CCCC6)(O4)O5)O3)O2)C1.

What is the InChIKey of 1,3,5,7,9,11,13,15,17,19-decacyclopentyl-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 WHGXGAOOARPIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H90O15Si10/c2*1-2-22-41(21-1)66-51-67(42-23-3-4-24-42)58-70(45-29-9-10-30-45)52-68(56-66,43-25-5-6-26-43)60-72(47-33-13-14-34-47)54-74(62-70,49-37-17-18-38-49)65-75(50-39-19-20-40-50)55-73(64-72,48-35-15-16-36-48)61-69(57-66,44-27-7-8-28-44)53-71(59-67,63-75)46-31-11-12-32-46/h2*41-50H,1-40H2.

What are the key properties of 1,3,5,7,9,11,13,15,17,19-decacyclopentyl-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-decacyclopentyl-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 2424.23 g/mol, XLogP of 28.30, 20 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,5,7,9,11,13,15,17,19-decacyclopentyl-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 139045101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).