4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene

C110H140O10 — CID 139095510

IUPAC4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene
SMILESCCCCCCCCOc1cc2c(OCc3ccccc3)cc1Cc1cc(OCCCCCCCC)c(cc1OCc1ccccc1)Cc1cc(OCCCCCCCC)c(cc1OCc1ccccc1)Cc1cc(OCCCCCCCC)c(cc1OCc1ccccc1)Cc1cc(OCCCCCCCC)c(cc1OCc1ccccc1)C2
InChIInChI=1S/C110H140O10/c1-6-11-16-21-26-46-61-111-101-71-96-67-92-77-108(118-83-88-55-40-33-41-56-88)98(73-103(92)113-63-48-28-23-18-13-8-3)69-94-79-110(120-85-90-59-44-35-45-60-90)100(75-105(94)115-65-50-30-25-20-15-10-5)70-95-80-109(119-84-89-57-42-34-43-58-89)99(74-104(95)114-64-49-29-24-19-14-9-4)68-93-78-107(117-82-87-53-38-32-39-54-87)97(72-102(93)112-62-47-27-22-17-12-7-2)66-91(101)76-106(96)116-81-86-51-36-31-37-52-86/h31-45,51-60,71-80H,6-30,46-50,61-70,81-85H2,1-5H3
InChIKeyOGILGBBASWBNPG-UHFFFAOYSA-N
MW1622.32 g/mol
LogP29.55
Rot. Bonds55

About 4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene

4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene (PubChem CID 139095510) has the molecular formula C110H140O10 and a molecular weight of 1622.32 g/mol. Its IUPAC name is 4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene.

Molecular Properties

Compound Name4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene
PubChem CID139095510
Molecular FormulaC110H140O10
Molecular Weight1622.32 g/mol
Exact Mass1621.04
IUPAC Name4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene
SMILESCCCCCCCCOc1cc2c(OCc3ccccc3)cc1Cc1cc(OCCCCCCCC)c(cc1OCc1ccccc1)Cc1cc(OCCCCCCCC)c(cc1OCc1ccccc1)Cc1cc(OCCCCCCCC)c(cc1OCc1ccccc1)Cc1cc(OCCCCCCCC)c(cc1OCc1ccccc1)C2
InChIInChI=1S/C110H140O10/c1-6-11-16-21-26-46-61-111-101-71-96-67-92-77-108(118-83-88-55-40-33-41-56-88)98(73-103(92)113-63-48-28-23-18-13-8-3)69-94-79-110(120-85-90-59-44-35-45-60-90)100(75-105(94)115-65-50-30-25-20-15-10-5)70-95-80-109(119-84-89-57-42-34-43-58-89)99(74-104(95)114-64-49-29-24-19-14-9-4)68-93-78-107(117-82-87-53-38-32-39-54-87)97(72-102(93)112-62-47-27-22-17-12-7-2)66-91(101)76-106(96)116-81-86-51-36-31-37-52-86/h31-45,51-60,71-80H,6-30,46-50,61-70,81-85H2,1-5H3
InChIKeyOGILGBBASWBNPG-UHFFFAOYSA-N
XLogP29.55
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds55
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001622.32
LogP ≤ 529.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene?
The IUPAC name of 4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene (CID 139095510) is 4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene.
What is the SMILES notation for 4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene?
The canonical SMILES for 4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene is CCCCCCCCOc1cc2c(OCc3ccccc3)cc1Cc1cc(OCCCCCCCC)c(cc1OCc1ccccc1)Cc1cc(OCCCCCCCC)c(cc1OCc1ccccc1)Cc1cc(OCCCCCCCC)c(cc1OCc1ccccc1)Cc1cc(OCCCCCCCC)c(cc1OCc1ccccc1)C2.
What is the InChIKey of 4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene?
The InChIKey is OGILGBBASWBNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H140O10/c1-6-11-16-21-26-46-61-111-101-71-96-67-92-77-108(118-83-88-55-40-33-41-56-88)98(73-103(92)113-63-48-28-23-18-13-8-3)69-94-79-110(120-85-90-59-44-35-45-60-90)100(75-105(94)115-65-50-30-25-20-15-10-5)70-95-80-109(119-84-89-57-42-34-43-58-89)99(74-104(95)114-64-49-29-24-19-14-9-4)68-93-78-107(117-82-87-53-38-32-39-54-87)97(72-102(93)112-62-47-27-22-17-12-7-2)66-91(101)76-106(96)116-81-86-51-36-31-37-52-86/h31-45,51-60,71-80H,6-30,46-50,61-70,81-85H2,1-5H3.
What are the key properties of 4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene?
4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene has a molecular weight of 1622.32 g/mol, XLogP of 29.55, 55 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene is sourced from PubChem (CID 139095510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).