methyl 2-[[6,10,12,16,18,22,24-heptakis(2-methoxy-2-oxoethoxy)-2,8,14,20-tetrakis(2-phenylethyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetate

C84H88O24 — CID 122202439

About methyl 2-[[6,10,12,16,18,22,24-heptakis(2-methoxy-2-oxoethoxy)-2,8,14,20-tetrakis(2-phenylethyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetate

methyl 2-[[6,10,12,16,18,22,24-heptakis(2-methoxy-2-oxoethoxy)-2,8,14,20-tetrakis(2-phenylethyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetate (PubChem CID 122202439) has the molecular formula C84H88O24 and a molecular weight of 1481.60 g/mol. Its IUPAC name is methyl 2-[[6,10,12,16,18,22,24-heptakis(2-methoxy-2-oxoethoxy)-2,8,14,20-tetrakis(2-phenylethyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetate.

Molecular Properties

• Compound Name: methyl 2-[[6,10,12,16,18,22,24-heptakis(2-methoxy-2-oxoethoxy)-2,8,14,20-tetrakis(2-phenylethyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetate
• PubChem CID: 122202439
• Molecular Formula: C84H88O24
• Molecular Weight: 1481.60 g/mol
• Exact Mass: 1480.57
• IUPAC Name: methyl 2-[[6,10,12,16,18,22,24-heptakis(2-methoxy-2-oxoethoxy)-2,8,14,20-tetrakis(2-phenylethyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetate
• SMILES: COC(=O)COc1cc(OCC(=O)OC)c2cc1C(CCc1ccccc1)c1cc(c(OCC(=O)OC)cc1OCC(=O)OC)C(CCc1ccccc1)c1cc(c(OCC(=O)OC)cc1OCC(=O)OC)C(CCc1ccccc1)c1cc(c(OCC(=O)OC)cc1OCC(=O)OC)C2CCc1ccccc1
• InChI: InChI=1S/C84H88O24/c1-93-77(85)45-101-69-41-70(102-46-78(86)94-2)62-37-61(69)57(33-29-53-21-13-9-14-22-53)63-38-64(72(104-48-80(88)96-4)42-71(63)103-47-79(87)95-3)59(35-31-55-25-17-11-18-26-55)67-40-68(76(108-52-84(92)100-8)44-75(67)107-51-83(91)99-7)60(36-32-56-27-19-12-20-28-56)66-39-65(58(62)34-30-54-23-15-10-16-24-54)73(105-49-81(89)97-5)43-74(66)106-50-82(90)98-6/h9-28,37-44,57-60H,29-36,45-52H2,1-8H3
• InChIKey: HINIDDMUXDNYMP-UHFFFAOYSA-N
• XLogP: 11.47
• TPSA: 284.24 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1481.60
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6,10,12,16,18,22,24-heptakis(2-methoxy-2-oxoethoxy)-2,8,14,20-tetrakis(2-phenylethyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetate?

The IUPAC name of methyl 2-[[6,10,12,16,18,22,24-heptakis(2-methoxy-2-oxoethoxy)-2,8,14,20-tetrakis(2-phenylethyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetate (CID 122202439) is methyl 2-[[6,10,12,16,18,22,24-heptakis(2-methoxy-2-oxoethoxy)-2,8,14,20-tetrakis(2-phenylethyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetate.

What is the SMILES notation for methyl 2-[[6,10,12,16,18,22,24-heptakis(2-methoxy-2-oxoethoxy)-2,8,14,20-tetrakis(2-phenylethyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetate?

The canonical SMILES for methyl 2-[[6,10,12,16,18,22,24-heptakis(2-methoxy-2-oxoethoxy)-2,8,14,20-tetrakis(2-phenylethyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetate is COC(=O)COc1cc(OCC(=O)OC)c2cc1C(CCc1ccccc1)c1cc(c(OCC(=O)OC)cc1OCC(=O)OC)C(CCc1ccccc1)c1cc(c(OCC(=O)OC)cc1OCC(=O)OC)C(CCc1ccccc1)c1cc(c(OCC(=O)OC)cc1OCC(=O)OC)C2CCc1ccccc1.

What is the InChIKey of methyl 2-[[6,10,12,16,18,22,24-heptakis(2-methoxy-2-oxoethoxy)-2,8,14,20-tetrakis(2-phenylethyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetate?

The InChIKey is HINIDDMUXDNYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H88O24/c1-93-77(85)45-101-69-41-70(102-46-78(86)94-2)62-37-61(69)57(33-29-53-21-13-9-14-22-53)63-38-64(72(104-48-80(88)96-4)42-71(63)103-47-79(87)95-3)59(35-31-55-25-17-11-18-26-55)67-40-68(76(108-52-84(92)100-8)44-75(67)107-51-83(91)99-7)60(36-32-56-27-19-12-20-28-56)66-39-65(58(62)34-30-54-23-15-10-16-24-54)73(105-49-81(89)97-5)43-74(66)106-50-82(90)98-6/h9-28,37-44,57-60H,29-36,45-52H2,1-8H3.

What are the key properties of methyl 2-[[6,10,12,16,18,22,24-heptakis(2-methoxy-2-oxoethoxy)-2,8,14,20-tetrakis(2-phenylethyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetate?

methyl 2-[[6,10,12,16,18,22,24-heptakis(2-methoxy-2-oxoethoxy)-2,8,14,20-tetrakis(2-phenylethyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetate has a molecular weight of 1481.60 g/mol, XLogP of 11.47, 36 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[6,10,12,16,18,22,24-heptakis(2-methoxy-2-oxoethoxy)-2,8,14,20-tetrakis(2-phenylethyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetate is sourced from PubChem (CID 122202439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).