ethyl 2-[[17-(2-ethoxy-2-oxoethoxy)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetate

C48H60O10 — CID 15447633

About ethyl 2-[[17-(2-ethoxy-2-oxoethoxy)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetate

ethyl 2-[[17-(2-ethoxy-2-oxoethoxy)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetate (PubChem CID 15447633) has the molecular formula C48H60O10 and a molecular weight of 797.00 g/mol. Its IUPAC name is ethyl 2-[[17-(2-ethoxy-2-oxoethoxy)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetate.

Molecular Properties

• Compound Name: ethyl 2-[[17-(2-ethoxy-2-oxoethoxy)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetate
• PubChem CID: 15447633
• Molecular Formula: C48H60O10
• Molecular Weight: 797.00 g/mol
• Exact Mass: 796.42
• IUPAC Name: ethyl 2-[[17-(2-ethoxy-2-oxoethoxy)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetate
• SMILES: CCCOc1c2cccc1Cc1cc(OCC(=O)OCC)cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc(OCC(=O)OCC)cc(c1OCCC)C2
• InChI: InChI=1S/C48H60O10/c1-7-19-53-45-33-15-13-16-34(45)24-38-28-42(58-32-44(50)52-12-6)30-40(48(38)56-22-10-4)26-36-18-14-17-35(46(36)54-20-8-2)25-39-29-41(57-31-43(49)51-11-5)27-37(23-33)47(39)55-21-9-3/h13-18,27-30H,7-12,19-26,31-32H2,1-6H3
• InChIKey: UOWJOBKWGOOTEP-UHFFFAOYSA-N
• XLogP: 9.40
• TPSA: 107.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.00
LogP ≤ 5	9.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[17-(2-ethoxy-2-oxoethoxy)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetate?

The IUPAC name of ethyl 2-[[17-(2-ethoxy-2-oxoethoxy)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetate (CID 15447633) is ethyl 2-[[17-(2-ethoxy-2-oxoethoxy)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetate.

What is the SMILES notation for ethyl 2-[[17-(2-ethoxy-2-oxoethoxy)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetate?

The canonical SMILES for ethyl 2-[[17-(2-ethoxy-2-oxoethoxy)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetate is CCCOc1c2cccc1Cc1cc(OCC(=O)OCC)cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc(OCC(=O)OCC)cc(c1OCCC)C2.

What is the InChIKey of ethyl 2-[[17-(2-ethoxy-2-oxoethoxy)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetate?

The InChIKey is UOWJOBKWGOOTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H60O10/c1-7-19-53-45-33-15-13-16-34(45)24-38-28-42(58-32-44(50)52-12-6)30-40(48(38)56-22-10-4)26-36-18-14-17-35(46(36)54-20-8-2)25-39-29-41(57-31-43(49)51-11-5)27-37(23-33)47(39)55-21-9-3/h13-18,27-30H,7-12,19-26,31-32H2,1-6H3.

What are the key properties of ethyl 2-[[17-(2-ethoxy-2-oxoethoxy)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetate?

ethyl 2-[[17-(2-ethoxy-2-oxoethoxy)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetate has a molecular weight of 797.00 g/mol, XLogP of 9.40, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[17-(2-ethoxy-2-oxoethoxy)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetate is sourced from PubChem (CID 15447633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).