4,9,14,19,24-pentamethoxy-26,28,30,32,34-pentakis(prop-2-ynoxy)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

C55H50O10 — CID 177401720

IUPAC4,9,14,19,24-pentamethoxy-26,28,30,32,34-pentakis(prop-2-ynoxy)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
SMILESC#CCOc1cc2c(OC)cc1Cc1cc(OCC#C)c(cc1OC)Cc1cc(OCC#C)c(cc1OC)Cc1cc(OCC#C)c(cc1OC)Cc1cc(OCC#C)c(cc1OC)C2
InChIInChI=1S/C55H50O10/c1-11-16-61-51-31-36-22-42-27-48(58-8)38(33-53(42)63-18-13-3)24-44-29-50(60-10)40(35-55(44)65-20-15-5)25-45-30-49(59-9)39(34-54(45)64-19-14-4)23-43-28-47(57-7)37(32-52(43)62-17-12-2)21-41(51)26-46(36)56-6/h1-5,26-35H,16-25H2,6-10H3
InChIKeyGATJYAJLDCKCOX-UHFFFAOYSA-N
MW870.99 g/mol
LogP8.06
Rot. Bonds15

About 4,9,14,19,24-pentamethoxy-26,28,30,32,34-pentakis(prop-2-ynoxy)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-pentamethoxy-26,28,30,32,34-pentakis(prop-2-ynoxy)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 177401720) has the molecular formula C55H50O10 and a molecular weight of 870.99 g/mol. Its IUPAC name is 4,9,14,19,24-pentamethoxy-26,28,30,32,34-pentakis(prop-2-ynoxy)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-pentamethoxy-26,28,30,32,34-pentakis(prop-2-ynoxy)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 CID177401720
Molecular FormulaC55H50O10
Molecular Weight870.99 g/mol
Exact Mass870.34
IUPAC Name4,9,14,19,24-pentamethoxy-26,28,30,32,34-pentakis(prop-2-ynoxy)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
SMILESC#CCOc1cc2c(OC)cc1Cc1cc(OCC#C)c(cc1OC)Cc1cc(OCC#C)c(cc1OC)Cc1cc(OCC#C)c(cc1OC)Cc1cc(OCC#C)c(cc1OC)C2
InChIInChI=1S/C55H50O10/c1-11-16-61-51-31-36-22-42-27-48(58-8)38(33-53(42)63-18-13-3)24-44-29-50(60-10)40(35-55(44)65-20-15-5)25-45-30-49(59-9)39(34-54(45)64-19-14-4)23-43-28-47(57-7)37(32-52(43)62-17-12-2)21-41(51)26-46(36)56-6/h1-5,26-35H,16-25H2,6-10H3
InChIKeyGATJYAJLDCKCOX-UHFFFAOYSA-N
XLogP8.06
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.99
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4,9,14,19,24-pentamethoxy-26,28,30,32,34-pentakis(prop-2-ynoxy)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

5,12,20-trimethoxy-6,13,19-tris(prop-2-ynoxy)tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 71653531
4,9,19,28,32,34-hexakis(2-bromoethoxy)-14,24,26,30-tetramethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(26),3(35),4,6(34),8,10,13,15,18,20,23(27),24,28,30,32-pentadecaene
CID 139205654
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Frequently Asked Questions

What is the IUPAC name of 4,9,14,19,24-pentamethoxy-26,28,30,32,34-pentakis(prop-2-ynoxy)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-pentamethoxy-26,28,30,32,34-pentakis(prop-2-ynoxy)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 177401720) is 4,9,14,19,24-pentamethoxy-26,28,30,32,34-pentakis(prop-2-ynoxy)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-pentamethoxy-26,28,30,32,34-pentakis(prop-2-ynoxy)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-pentamethoxy-26,28,30,32,34-pentakis(prop-2-ynoxy)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 C#CCOc1cc2c(OC)cc1Cc1cc(OCC#C)c(cc1OC)Cc1cc(OCC#C)c(cc1OC)Cc1cc(OCC#C)c(cc1OC)Cc1cc(OCC#C)c(cc1OC)C2.
What is the InChIKey of 4,9,14,19,24-pentamethoxy-26,28,30,32,34-pentakis(prop-2-ynoxy)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 GATJYAJLDCKCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H50O10/c1-11-16-61-51-31-36-22-42-27-48(58-8)38(33-53(42)63-18-13-3)24-44-29-50(60-10)40(35-55(44)65-20-15-5)25-45-30-49(59-9)39(34-54(45)64-19-14-4)23-43-28-47(57-7)37(32-52(43)62-17-12-2)21-41(51)26-46(36)56-6/h1-5,26-35H,16-25H2,6-10H3.
What are the key properties of 4,9,14,19,24-pentamethoxy-26,28,30,32,34-pentakis(prop-2-ynoxy)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-pentamethoxy-26,28,30,32,34-pentakis(prop-2-ynoxy)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 870.99 g/mol, XLogP of 8.06, 15 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-pentamethoxy-26,28,30,32,34-pentakis(prop-2-ynoxy)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 177401720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).