6-[3-[3-[4,8-bis(dimethylamino)-6-(2-hydroxy-3-methoxypropoxy)carbonyl-2,2,4,6,8-pentamethyldecanoyl]oxy-2-hydroxypropoxy]-2-hydroxypropoxy]carbonyl-4-(2,3-dihydroxypropoxycarbonyl)-2,4,6-trimethyloctanoic acid;bis(oxiran-2-ylmethyl) 4-(dimethylcarbamoyl)-2-[2-(dimethylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethylheptanedioate;5-(2,3-dihydroxypropoxy)-2-ethyl-4,4-dimethyl-5-oxopentanoic acid;methane;methanol

C93H184N4O36 — CID 159425474

About 6-[3-[3-[4,8-bis(dimethylamino)-6-(2-hydroxy-3-methoxypropoxy)carbonyl-2,2,4,6,8-pentamethyldecanoyl]oxy-2-hydroxypropoxy]-2-hydroxypropoxy]carbonyl-4-(2,3-dihydroxypropoxycarbonyl)-2,4,6-trimethyloctanoic acid;bis(oxiran-2-ylmethyl) 4-(dimethylcarbamoyl)-2-[2-(dimethylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethylheptanedioate;5-(2,3-dihydroxypropoxy)-2-ethyl-4,4-dimethyl-5-oxopentanoic acid;methane;methanol

6-[3-[3-[4,8-bis(dimethylamino)-6-(2-hydroxy-3-methoxypropoxy)carbonyl-2,2,4,6,8-pentamethyldecanoyl]oxy-2-hydroxypropoxy]-2-hydroxypropoxy]carbonyl-4-(2,3-dihydroxypropoxycarbonyl)-2,4,6-trimethyloctanoic acid;bis(oxiran-2-ylmethyl) 4-(dimethylcarbamoyl)-2-[2-(dimethylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethylheptanedioate;5-(2,3-dihydroxypropoxy)-2-ethyl-4,4-dimethyl-5-oxopentanoic acid;methane;methanol (PubChem CID 159425474) has the molecular formula C93H184N4O36 and a molecular weight of 1934.49 g/mol. Its IUPAC name is 6-[3-[3-[4,8-bis(dimethylamino)-6-(2-hydroxy-3-methoxypropoxy)carbonyl-2,2,4,6,8-pentamethyldecanoyl]oxy-2-hydroxypropoxy]-2-hydroxypropoxy]carbonyl-4-(2,3-dihydroxypropoxycarbonyl)-2,4,6-trimethyloctanoic acid;bis(oxiran-2-ylmethyl) 4-(dimethylcarbamoyl)-2-[2-(dimethylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethylheptanedioate;5-(2,3-dihydroxypropoxy)-2-ethyl-4,4-dimethyl-5-oxopentanoic acid;methane;methanol.

Molecular Properties

• Compound Name: 6-[3-[3-[4,8-bis(dimethylamino)-6-(2-hydroxy-3-methoxypropoxy)carbonyl-2,2,4,6,8-pentamethyldecanoyl]oxy-2-hydroxypropoxy]-2-hydroxypropoxy]carbonyl-4-(2,3-dihydroxypropoxycarbonyl)-2,4,6-trimethyloctanoic acid;bis(oxiran-2-ylmethyl) 4-(dimethylcarbamoyl)-2-[2-(dimethylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethylheptanedioate;5-(2,3-dihydroxypropoxy)-2-ethyl-4,4-dimethyl-5-oxopentanoic acid;methane;methanol
• PubChem CID: 159425474
• Molecular Formula: C93H184N4O36
• Molecular Weight: 1934.49 g/mol
• Exact Mass: 1933.27
• IUPAC Name: 6-[3-[3-[4,8-bis(dimethylamino)-6-(2-hydroxy-3-methoxypropoxy)carbonyl-2,2,4,6,8-pentamethyldecanoyl]oxy-2-hydroxypropoxy]-2-hydroxypropoxy]carbonyl-4-(2,3-dihydroxypropoxycarbonyl)-2,4,6-trimethyloctanoic acid;bis(oxiran-2-ylmethyl) 4-(dimethylcarbamoyl)-2-[2-(dimethylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethylheptanedioate;5-(2,3-dihydroxypropoxy)-2-ethyl-4,4-dimethyl-5-oxopentanoic acid;methane;methanol
• SMILES: C.C.CCC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)OCC1CO1)C(=O)N(C)C)C(=O)OCC1CO1)C(=O)N(C)C.CCC(C)(CC(C)(CC(C)C(=O)O)C(=O)OCC(O)CO)C(=O)OCC(O)COCC(O)COC(=O)C(C)(C)CC(C)(CC(C)(CC(C)(CC)N(C)C)C(=O)OCC(O)COC)N(C)C.CCC(CC(C)(C)C(=O)OCC(O)CO)C(=O)O.CO.CO.CO.CO.CO
• InChI: InChI=1S/C46H86N2O17.C28H48N2O8.C12H22O6.5CH4O.2CH4/c1-16-42(6,28-43(7,18-31(3)36(54)55)39(58)63-23-32(50)19-49)38(57)64-26-35(53)22-61-21-34(52)25-62-37(56)41(4,5)27-46(10,48(13)14)30-44(8,29-45(9,17-2)47(11)12)40(59)65-24-33(51)20-60-15;1-11-26(4,21(31)29(7)8)17-28(6,24(34)38-15-20-13-36-20)18-27(5,22(32)30(9)10)16-25(2,3)23(33)37-14-19-12-35-19;1-4-8(10(15)16)5-12(2,3)11(17)18-7-9(14)6-13;5*1-2;;/h31-35,49-53H,16-30H2,1-15H3,(H,54,55);19-20H,11-18H2,1-10H3;8-9,13-14H,4-7H2,1-3H3,(H,15,16);5*2H,1H3;2*1H4
• InChIKey: LQHGMDYRJBIOSX-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 592.08 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 36
• Rotatable Bonds: 57
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1934.49
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-[4,8-bis(dimethylamino)-6-(2-hydroxy-3-methoxypropoxy)carbonyl-2,2,4,6,8-pentamethyldecanoyl]oxy-2-hydroxypropoxy]-2-hydroxypropoxy]carbonyl-4-(2,3-dihydroxypropoxycarbonyl)-2,4,6-trimethyloctanoic acid;bis(oxiran-2-ylmethyl) 4-(dimethylcarbamoyl)-2-[2-(dimethylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethylheptanedioate;5-(2,3-dihydroxypropoxy)-2-ethyl-4,4-dimethyl-5-oxopentanoic acid;methane;methanol?

The IUPAC name of 6-[3-[3-[4,8-bis(dimethylamino)-6-(2-hydroxy-3-methoxypropoxy)carbonyl-2,2,4,6,8-pentamethyldecanoyl]oxy-2-hydroxypropoxy]-2-hydroxypropoxy]carbonyl-4-(2,3-dihydroxypropoxycarbonyl)-2,4,6-trimethyloctanoic acid;bis(oxiran-2-ylmethyl) 4-(dimethylcarbamoyl)-2-[2-(dimethylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethylheptanedioate;5-(2,3-dihydroxypropoxy)-2-ethyl-4,4-dimethyl-5-oxopentanoic acid;methane;methanol (CID 159425474) is 6-[3-[3-[4,8-bis(dimethylamino)-6-(2-hydroxy-3-methoxypropoxy)carbonyl-2,2,4,6,8-pentamethyldecanoyl]oxy-2-hydroxypropoxy]-2-hydroxypropoxy]carbonyl-4-(2,3-dihydroxypropoxycarbonyl)-2,4,6-trimethyloctanoic acid;bis(oxiran-2-ylmethyl) 4-(dimethylcarbamoyl)-2-[2-(dimethylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethylheptanedioate;5-(2,3-dihydroxypropoxy)-2-ethyl-4,4-dimethyl-5-oxopentanoic acid;methane;methanol.

What is the SMILES notation for 6-[3-[3-[4,8-bis(dimethylamino)-6-(2-hydroxy-3-methoxypropoxy)carbonyl-2,2,4,6,8-pentamethyldecanoyl]oxy-2-hydroxypropoxy]-2-hydroxypropoxy]carbonyl-4-(2,3-dihydroxypropoxycarbonyl)-2,4,6-trimethyloctanoic acid;bis(oxiran-2-ylmethyl) 4-(dimethylcarbamoyl)-2-[2-(dimethylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethylheptanedioate;5-(2,3-dihydroxypropoxy)-2-ethyl-4,4-dimethyl-5-oxopentanoic acid;methane;methanol?

The canonical SMILES for 6-[3-[3-[4,8-bis(dimethylamino)-6-(2-hydroxy-3-methoxypropoxy)carbonyl-2,2,4,6,8-pentamethyldecanoyl]oxy-2-hydroxypropoxy]-2-hydroxypropoxy]carbonyl-4-(2,3-dihydroxypropoxycarbonyl)-2,4,6-trimethyloctanoic acid;bis(oxiran-2-ylmethyl) 4-(dimethylcarbamoyl)-2-[2-(dimethylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethylheptanedioate;5-(2,3-dihydroxypropoxy)-2-ethyl-4,4-dimethyl-5-oxopentanoic acid;methane;methanol is C.C.CCC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)OCC1CO1)C(=O)N(C)C)C(=O)OCC1CO1)C(=O)N(C)C.CCC(C)(CC(C)(CC(C)C(=O)O)C(=O)OCC(O)CO)C(=O)OCC(O)COCC(O)COC(=O)C(C)(C)CC(C)(CC(C)(CC(C)(CC)N(C)C)C(=O)OCC(O)COC)N(C)C.CCC(CC(C)(C)C(=O)OCC(O)CO)C(=O)O.CO.CO.CO.CO.CO.

What is the InChIKey of 6-[3-[3-[4,8-bis(dimethylamino)-6-(2-hydroxy-3-methoxypropoxy)carbonyl-2,2,4,6,8-pentamethyldecanoyl]oxy-2-hydroxypropoxy]-2-hydroxypropoxy]carbonyl-4-(2,3-dihydroxypropoxycarbonyl)-2,4,6-trimethyloctanoic acid;bis(oxiran-2-ylmethyl) 4-(dimethylcarbamoyl)-2-[2-(dimethylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethylheptanedioate;5-(2,3-dihydroxypropoxy)-2-ethyl-4,4-dimethyl-5-oxopentanoic acid;methane;methanol?

The InChIKey is LQHGMDYRJBIOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H86N2O17.C28H48N2O8.C12H22O6.5CH4O.2CH4/c1-16-42(6,28-43(7,18-31(3)36(54)55)39(58)63-23-32(50)19-49)38(57)64-26-35(53)22-61-21-34(52)25-62-37(56)41(4,5)27-46(10,48(13)14)30-44(8,29-45(9,17-2)47(11)12)40(59)65-24-33(51)20-60-15;1-11-26(4,21(31)29(7)8)17-28(6,24(34)38-15-20-13-36-20)18-27(5,22(32)30(9)10)16-25(2,3)23(33)37-14-19-12-35-19;1-4-8(10(15)16)5-12(2,3)11(17)18-7-9(14)6-13;5*1-2;;/h31-35,49-53H,16-30H2,1-15H3,(H,54,55);19-20H,11-18H2,1-10H3;8-9,13-14H,4-7H2,1-3H3,(H,15,16);5*2H,1H3;2*1H4.

What are the key properties of 6-[3-[3-[4,8-bis(dimethylamino)-6-(2-hydroxy-3-methoxypropoxy)carbonyl-2,2,4,6,8-pentamethyldecanoyl]oxy-2-hydroxypropoxy]-2-hydroxypropoxy]carbonyl-4-(2,3-dihydroxypropoxycarbonyl)-2,4,6-trimethyloctanoic acid;bis(oxiran-2-ylmethyl) 4-(dimethylcarbamoyl)-2-[2-(dimethylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethylheptanedioate;5-(2,3-dihydroxypropoxy)-2-ethyl-4,4-dimethyl-5-oxopentanoic acid;methane;methanol?

6-[3-[3-[4,8-bis(dimethylamino)-6-(2-hydroxy-3-methoxypropoxy)carbonyl-2,2,4,6,8-pentamethyldecanoyl]oxy-2-hydroxypropoxy]-2-hydroxypropoxy]carbonyl-4-(2,3-dihydroxypropoxycarbonyl)-2,4,6-trimethyloctanoic acid;bis(oxiran-2-ylmethyl) 4-(dimethylcarbamoyl)-2-[2-(dimethylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethylheptanedioate;5-(2,3-dihydroxypropoxy)-2-ethyl-4,4-dimethyl-5-oxopentanoic acid;methane;methanol has a molecular weight of 1934.49 g/mol, XLogP of 4.83, 57 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-[4,8-bis(dimethylamino)-6-(2-hydroxy-3-methoxypropoxy)carbonyl-2,2,4,6,8-pentamethyldecanoyl]oxy-2-hydroxypropoxy]-2-hydroxypropoxy]carbonyl-4-(2,3-dihydroxypropoxycarbonyl)-2,4,6-trimethyloctanoic acid;bis(oxiran-2-ylmethyl) 4-(dimethylcarbamoyl)-2-[2-(dimethylcarbamoyl)-2-methylbutyl]-2,4,6,6-tetramethylheptanedioate;5-(2,3-dihydroxypropoxy)-2-ethyl-4,4-dimethyl-5-oxopentanoic acid;methane;methanol is sourced from PubChem (CID 159425474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).