10,11,24,25,38,39-hexakis[2-(2-methoxyethoxy)ethoxy]decacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene

C84H84O18 — CID 132514166

IUPAC10,11,24,25,38,39-hexakis[2-(2-methoxyethoxy)ethoxy]decacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene
SMILESCOCCOCCOc1c(OCCOCCOC)c2ccc3cc2c2cc(ccc12)=C=C=C=C=c1ccc2c(OCCOCCOC)c(OCCOCCOC)c4ccc(cc4c2c1)=C=C=C=C=c1ccc2c(OCCOCCOC)c(OCCOCCOC)c4ccc(cc4c2c1)=C=C=C=C=3
InChIInChI=1S/C84H84O18/c1-85-31-37-91-43-49-97-79-67-25-19-61-13-7-8-15-63-21-27-69-75(57-63)77-59-65(23-29-71(77)83(101-53-47-95-41-35-89-5)81(69)99-51-45-93-39-33-87-3)17-11-12-18-66-24-30-72-78(60-66)76-58-64(22-28-70(76)82(100-52-46-94-40-34-88-4)84(72)102-54-48-96-42-36-90-6)16-10-9-14-62-20-26-68(74(56-62)73(67)55-61)80(79)98-50-44-92-38-32-86-2/h19-30,55-60H,31-54H2,1-6H3
InChIKeyBEZZBUGDDGCAIL-UHFFFAOYSA-N
MW1381.58 g/mol
LogP8.15
Rot. Bonds42

About 10,11,24,25,38,39-hexakis[2-(2-methoxyethoxy)ethoxy]decacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene

10,11,24,25,38,39-hexakis[2-(2-methoxyethoxy)ethoxy]decacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene (PubChem CID 132514166) has the molecular formula C84H84O18 and a molecular weight of 1381.58 g/mol. Its IUPAC name is 10,11,24,25,38,39-hexakis[2-(2-methoxyethoxy)ethoxy]decacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene.

Molecular Properties

Compound Name10,11,24,25,38,39-hexakis[2-(2-methoxyethoxy)ethoxy]decacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene
PubChem CID132514166
Molecular FormulaC84H84O18
Molecular Weight1381.58 g/mol
Exact Mass1380.57
IUPAC Name10,11,24,25,38,39-hexakis[2-(2-methoxyethoxy)ethoxy]decacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene
SMILESCOCCOCCOc1c(OCCOCCOC)c2ccc3cc2c2cc(ccc12)=C=C=C=C=c1ccc2c(OCCOCCOC)c(OCCOCCOC)c4ccc(cc4c2c1)=C=C=C=C=c1ccc2c(OCCOCCOC)c(OCCOCCOC)c4ccc(cc4c2c1)=C=C=C=C=3
InChIInChI=1S/C84H84O18/c1-85-31-37-91-43-49-97-79-67-25-19-61-13-7-8-15-63-21-27-69-75(57-63)77-59-65(23-29-71(77)83(101-53-47-95-41-35-89-5)81(69)99-51-45-93-39-33-87-3)17-11-12-18-66-24-30-72-78(60-66)76-58-64(22-28-70(76)82(100-52-46-94-40-34-88-4)84(72)102-54-48-96-42-36-90-6)16-10-9-14-62-20-26-68(74(56-62)73(67)55-61)80(79)98-50-44-92-38-32-86-2/h19-30,55-60H,31-54H2,1-6H3
InChIKeyBEZZBUGDDGCAIL-UHFFFAOYSA-N
XLogP8.15
TPSA166.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds42
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001381.58
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10,11,24,25,38,39-hexakis[2-(2-methoxyethoxy)ethoxy]decacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10,11,24,25,38,39-hexakis[2-(2-methoxyethoxy)ethoxy]decacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene?
The IUPAC name of 10,11,24,25,38,39-hexakis[2-(2-methoxyethoxy)ethoxy]decacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene (CID 132514166) is 10,11,24,25,38,39-hexakis[2-(2-methoxyethoxy)ethoxy]decacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene.
What is the SMILES notation for 10,11,24,25,38,39-hexakis[2-(2-methoxyethoxy)ethoxy]decacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene?
The canonical SMILES for 10,11,24,25,38,39-hexakis[2-(2-methoxyethoxy)ethoxy]decacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene is COCCOCCOc1c(OCCOCCOC)c2ccc3cc2c2cc(ccc12)=C=C=C=C=c1ccc2c(OCCOCCOC)c(OCCOCCOC)c4ccc(cc4c2c1)=C=C=C=C=c1ccc2c(OCCOCCOC)c(OCCOCCOC)c4ccc(cc4c2c1)=C=C=C=C=3.
What is the InChIKey of 10,11,24,25,38,39-hexakis[2-(2-methoxyethoxy)ethoxy]decacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene?
The InChIKey is BEZZBUGDDGCAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H84O18/c1-85-31-37-91-43-49-97-79-67-25-19-61-13-7-8-15-63-21-27-69-75(57-63)77-59-65(23-29-71(77)83(101-53-47-95-41-35-89-5)81(69)99-51-45-93-39-33-87-3)17-11-12-18-66-24-30-72-78(60-66)76-58-64(22-28-70(76)82(100-52-46-94-40-34-88-4)84(72)102-54-48-96-42-36-90-6)16-10-9-14-62-20-26-68(74(56-62)73(67)55-61)80(79)98-50-44-92-38-32-86-2/h19-30,55-60H,31-54H2,1-6H3.
What are the key properties of 10,11,24,25,38,39-hexakis[2-(2-methoxyethoxy)ethoxy]decacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene?
10,11,24,25,38,39-hexakis[2-(2-methoxyethoxy)ethoxy]decacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene has a molecular weight of 1381.58 g/mol, XLogP of 8.15, 42 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11,24,25,38,39-hexakis[2-(2-methoxyethoxy)ethoxy]decacyclo[32.8.4.46,15.420,29.037,45.040,44.09,53.012,52.023,49.026,48]tetrapentaconta-1,2,3,4,5,7,9,11,13,15,16,17,18,19,21,23,25,27,29,30,31,32,33,35,37,39,41,43,45,47,49,51,53-tritriacontaene is sourced from PubChem (CID 132514166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).