2,2,4,4-tetrahexadecyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane

C64H152O12Si12 — CID 175011265

IUPAC2,2,4,4-tetrahexadecyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane
SMILESCCCCCCCCCCCCCCCC[Si]1(CCCCCCCCCCCCCCCC)O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[Si](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)O1
InChIInChI=1S/C64H152O12Si12/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-87(62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)74-85-72-83-70-81-68-79-66-77-65-78-67-80-69-82-71-84-73-86-75-88(76-87,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64,77-86H2,1-4H3
InChIKeyAENWXZBUZZSSNQ-UHFFFAOYSA-N
MW1450.94 g/mol
LogP15.00
Rot. Bonds60

About 2,2,4,4-tetrahexadecyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane

2,2,4,4-tetrahexadecyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane (PubChem CID 175011265) has the molecular formula C64H152O12Si12 and a molecular weight of 1450.94 g/mol. Its IUPAC name is 2,2,4,4-tetrahexadecyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane.

Molecular Properties

Compound Name2,2,4,4-tetrahexadecyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane
PubChem CID175011265
Molecular FormulaC64H152O12Si12
Molecular Weight1450.94 g/mol
Exact Mass1448.85
IUPAC Name2,2,4,4-tetrahexadecyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane
SMILESCCCCCCCCCCCCCCCC[Si]1(CCCCCCCCCCCCCCCC)O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[Si](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)O1
InChIInChI=1S/C64H152O12Si12/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-87(62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)74-85-72-83-70-81-68-79-66-77-65-78-67-80-69-82-71-84-73-86-75-88(76-87,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64,77-86H2,1-4H3
InChIKeyAENWXZBUZZSSNQ-UHFFFAOYSA-N
XLogP15.00
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds60
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001450.94
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2,2,4,4-tetrahexadecyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane with MolForge

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Related Compounds

2,2,4,4,6,6,8,8,10,10-decaethyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane
CID 123706901
2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 58021544
2,4,6,8-tetramethyl-2,4,6,8-tetrapentyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 142697059
2-icosyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane
CID 151575691
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetrahexadecyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane?
The IUPAC name of 2,2,4,4-tetrahexadecyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane (CID 175011265) is 2,2,4,4-tetrahexadecyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane.
What is the SMILES notation for 2,2,4,4-tetrahexadecyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane?
The canonical SMILES for 2,2,4,4-tetrahexadecyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane is CCCCCCCCCCCCCCCC[Si]1(CCCCCCCCCCCCCCCC)O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[Si](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)O1.
What is the InChIKey of 2,2,4,4-tetrahexadecyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane?
The InChIKey is AENWXZBUZZSSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H152O12Si12/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-87(62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)74-85-72-83-70-81-68-79-66-77-65-78-67-80-69-82-71-84-73-86-75-88(76-87,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64,77-86H2,1-4H3.
What are the key properties of 2,2,4,4-tetrahexadecyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane?
2,2,4,4-tetrahexadecyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane has a molecular weight of 1450.94 g/mol, XLogP of 15.00, 60 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetrahexadecyl-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2,4,6,8,10,12,14,16,18,20,22,24-dodecasilacyclotetracosane is sourced from PubChem (CID 175011265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).