3,7,11,15-tetramethylhexadec-2-enyl 3-[8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-18-(propylcarbamoyl)-2,3,22,23-tetrahydroporphyrin-2-yl]propanoate

C58H83N5O5 — CID 6851923

About 3,7,11,15-tetramethylhexadec-2-enyl 3-[8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-18-(propylcarbamoyl)-2,3,22,23-tetrahydroporphyrin-2-yl]propanoate

3,7,11,15-tetramethylhexadec-2-enyl 3-[8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-18-(propylcarbamoyl)-2,3,22,23-tetrahydroporphyrin-2-yl]propanoate (PubChem CID 6851923) has the molecular formula C58H83N5O5 and a molecular weight of 930.33 g/mol. Its IUPAC name is 3,7,11,15-tetramethylhexadec-2-enyl 3-[8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-18-(propylcarbamoyl)-2,3,22,23-tetrahydroporphyrin-2-yl]propanoate.

Molecular Properties

• Compound Name: 3,7,11,15-tetramethylhexadec-2-enyl 3-[8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-18-(propylcarbamoyl)-2,3,22,23-tetrahydroporphyrin-2-yl]propanoate
• PubChem CID: 6851923
• Molecular Formula: C58H83N5O5
• Molecular Weight: 930.33 g/mol
• Exact Mass: 929.64
• IUPAC Name: 3,7,11,15-tetramethylhexadec-2-enyl 3-[8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-18-(propylcarbamoyl)-2,3,22,23-tetrahydroporphyrin-2-yl]propanoate
• SMILES: C=Cc1c(C)c2cc3nc(c(CC(=O)OC)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)NCCC)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C3C
• InChI: InChI=1S/C58H83N5O5/c1-14-29-59-58(66)55-42(12)50-34-52-44(16-3)40(10)48(61-52)33-51-43(15-2)39(9)47(60-51)32-49-41(11)45(56(62-49)46(57(55)63-50)31-54(65)67-13)26-27-53(64)68-30-28-38(8)25-19-24-37(7)23-18-22-36(6)21-17-20-35(4)5/h15,28,32-37,41,45,60-61H,2,14,16-27,29-31H2,1,3-13H3,(H,59,66)/b38-28?,47-32-,48-33-,49-32-,50-34-,51-33-,52-34-,56-46-,57-46-
• InChIKey: XDHTYXOXXXXBKJ-PFVUUBSKSA-N
• XLogP: 13.91
• TPSA: 139.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 24
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.33
LogP ≤ 5	13.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethylhexadec-2-enyl 3-[8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-18-(propylcarbamoyl)-2,3,22,23-tetrahydroporphyrin-2-yl]propanoate?

The IUPAC name of 3,7,11,15-tetramethylhexadec-2-enyl 3-[8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-18-(propylcarbamoyl)-2,3,22,23-tetrahydroporphyrin-2-yl]propanoate (CID 6851923) is 3,7,11,15-tetramethylhexadec-2-enyl 3-[8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-18-(propylcarbamoyl)-2,3,22,23-tetrahydroporphyrin-2-yl]propanoate.

What is the SMILES notation for 3,7,11,15-tetramethylhexadec-2-enyl 3-[8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-18-(propylcarbamoyl)-2,3,22,23-tetrahydroporphyrin-2-yl]propanoate?

The canonical SMILES for 3,7,11,15-tetramethylhexadec-2-enyl 3-[8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-18-(propylcarbamoyl)-2,3,22,23-tetrahydroporphyrin-2-yl]propanoate is C=Cc1c(C)c2cc3nc(c(CC(=O)OC)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)NCCC)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C3C.

What is the InChIKey of 3,7,11,15-tetramethylhexadec-2-enyl 3-[8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-18-(propylcarbamoyl)-2,3,22,23-tetrahydroporphyrin-2-yl]propanoate?

The InChIKey is XDHTYXOXXXXBKJ-PFVUUBSKSA-N. The full InChI is InChI=1S/C58H83N5O5/c1-14-29-59-58(66)55-42(12)50-34-52-44(16-3)40(10)48(61-52)33-51-43(15-2)39(9)47(60-51)32-49-41(11)45(56(62-49)46(57(55)63-50)31-54(65)67-13)26-27-53(64)68-30-28-38(8)25-19-24-37(7)23-18-22-36(6)21-17-20-35(4)5/h15,28,32-37,41,45,60-61H,2,14,16-27,29-31H2,1,3-13H3,(H,59,66)/b38-28?,47-32-,48-33-,49-32-,50-34-,51-33-,52-34-,56-46-,57-46-.

What are the key properties of 3,7,11,15-tetramethylhexadec-2-enyl 3-[8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-18-(propylcarbamoyl)-2,3,22,23-tetrahydroporphyrin-2-yl]propanoate?

3,7,11,15-tetramethylhexadec-2-enyl 3-[8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-18-(propylcarbamoyl)-2,3,22,23-tetrahydroporphyrin-2-yl]propanoate has a molecular weight of 930.33 g/mol, XLogP of 13.91, 24 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,7,11,15-tetramethylhexadec-2-enyl 3-[8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-18-(propylcarbamoyl)-2,3,22,23-tetrahydroporphyrin-2-yl]propanoate is sourced from PubChem (CID 6851923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).