(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol;oxolane-2,5-dione;4-oxo-4-[(2E,6E,8E,10E,12E,14E)-2,6,10,14-tetramethylhexadeca-2,6,8,10,12,14-hexaenoxy]butanoic acid;4-oxo-4-[(2E,6E,8E,10E,12E,14E,16E)-2,6,10,14-tetramethyloctadeca-2,6,8,10,12,14,16-heptaenoxy]butanoic acid

C94H130O13 — CID 158296001

IUPAC(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol;oxolane-2,5-dione;4-oxo-4-[(2E,6E,8E,10E,12E,14E)-2,6,10,14-tetramethylhexadeca-2,6,8,10,12,14-hexaenoxy]butanoic acid;4-oxo-4-[(2E,6E,8E,10E,12E,14E,16E)-2,6,10,14-tetramethyloctadeca-2,6,8,10,12,14,16-heptaenoxy]butanoic acid
SMILESC/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)COC(=O)CCC(=O)O.C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)COC(=O)CCC(=O)O.CC(/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CO)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CC/C=C(\C)CO.O=C1CCC(=O)O1
InChIInChI=1S/C40H56O2.C26H36O4.C24H34O4.C4H4O3/c1-33(19-11-21-35(3)23-13-25-37(5)27-15-29-39(7)31-41)17-9-10-18-34(2)20-12-22-36(4)24-14-26-38(6)28-16-30-40(8)32-42;1-6-7-11-21(2)12-8-13-22(3)14-9-15-23(4)16-10-17-24(5)20-30-26(29)19-18-25(27)28;1-6-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)18-28-24(27)17-16-23(25)26;5-3-1-2-4(6)7-3/h9-14,17-26,29-30,41-42H,15-16,27-28,31-32H2,1-8H3;6-9,11-15,17H,10,16,18-20H2,1-5H3,(H,27,28);6-8,10-13,15H,9,14,16-18H2,1-5H3,(H,25,26);1-2H2/b10-9+,19-11+,20-12+,23-13+,24-14+,33-17+,34-18+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+;7-6+,12-8+,14-9+,21-11+,22-13+,23-15+,24-17+;10-7+,12-8+,19-6+,20-11+,21-13+,22-15+;
InChIKeyGLXKPWJYTQMHNI-HAPPURBUSA-N
MW1468.06 g/mol
LogP23.47
Rot. Bonds43

About (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol;oxolane-2,5-dione;4-oxo-4-[(2E,6E,8E,10E,12E,14E)-2,6,10,14-tetramethylhexadeca-2,6,8,10,12,14-hexaenoxy]butanoic acid;4-oxo-4-[(2E,6E,8E,10E,12E,14E,16E)-2,6,10,14-tetramethyloctadeca-2,6,8,10,12,14,16-heptaenoxy]butanoic acid

(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol;oxolane-2,5-dione;4-oxo-4-[(2E,6E,8E,10E,12E,14E)-2,6,10,14-tetramethylhexadeca-2,6,8,10,12,14-hexaenoxy]butanoic acid;4-oxo-4-[(2E,6E,8E,10E,12E,14E,16E)-2,6,10,14-tetramethyloctadeca-2,6,8,10,12,14,16-heptaenoxy]butanoic acid (PubChem CID 158296001) has the molecular formula C94H130O13 and a molecular weight of 1468.06 g/mol. Its IUPAC name is (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol;oxolane-2,5-dione;4-oxo-4-[(2E,6E,8E,10E,12E,14E)-2,6,10,14-tetramethylhexadeca-2,6,8,10,12,14-hexaenoxy]butanoic acid;4-oxo-4-[(2E,6E,8E,10E,12E,14E,16E)-2,6,10,14-tetramethyloctadeca-2,6,8,10,12,14,16-heptaenoxy]butanoic acid.

Molecular Properties

Compound Name(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol;oxolane-2,5-dione;4-oxo-4-[(2E,6E,8E,10E,12E,14E)-2,6,10,14-tetramethylhexadeca-2,6,8,10,12,14-hexaenoxy]butanoic acid;4-oxo-4-[(2E,6E,8E,10E,12E,14E,16E)-2,6,10,14-tetramethyloctadeca-2,6,8,10,12,14,16-heptaenoxy]butanoic acid
PubChem CID158296001
Molecular FormulaC94H130O13
Molecular Weight1468.06 g/mol
Exact Mass1466.95
IUPAC Name(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol;oxolane-2,5-dione;4-oxo-4-[(2E,6E,8E,10E,12E,14E)-2,6,10,14-tetramethylhexadeca-2,6,8,10,12,14-hexaenoxy]butanoic acid;4-oxo-4-[(2E,6E,8E,10E,12E,14E,16E)-2,6,10,14-tetramethyloctadeca-2,6,8,10,12,14,16-heptaenoxy]butanoic acid
SMILESC/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)COC(=O)CCC(=O)O.C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)COC(=O)CCC(=O)O.CC(/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CO)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CC/C=C(\C)CO.O=C1CCC(=O)O1
InChIInChI=1S/C40H56O2.C26H36O4.C24H34O4.C4H4O3/c1-33(19-11-21-35(3)23-13-25-37(5)27-15-29-39(7)31-41)17-9-10-18-34(2)20-12-22-36(4)24-14-26-38(6)28-16-30-40(8)32-42;1-6-7-11-21(2)12-8-13-22(3)14-9-15-23(4)16-10-17-24(5)20-30-26(29)19-18-25(27)28;1-6-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)18-28-24(27)17-16-23(25)26;5-3-1-2-4(6)7-3/h9-14,17-26,29-30,41-42H,15-16,27-28,31-32H2,1-8H3;6-9,11-15,17H,10,16,18-20H2,1-5H3,(H,27,28);6-8,10-13,15H,9,14,16-18H2,1-5H3,(H,25,26);1-2H2/b10-9+,19-11+,20-12+,23-13+,24-14+,33-17+,34-18+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+;7-6+,12-8+,14-9+,21-11+,22-13+,23-15+,24-17+;10-7+,12-8+,19-6+,20-11+,21-13+,22-15+;
InChIKeyGLXKPWJYTQMHNI-HAPPURBUSA-N
XLogP23.47
TPSA211.03 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds43
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001468.06
LogP ≤ 523.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol;oxolane-2,5-dione;4-oxo-4-[(2E,6E,8E,10E,12E,14E)-2,6,10,14-tetramethylhexadeca-2,6,8,10,12,14-hexaenoxy]butanoic acid;4-oxo-4-[(2E,6E,8E,10E,12E,14E,16E)-2,6,10,14-tetramethyloctadeca-2,6,8,10,12,14,16-heptaenoxy]butanoic acid with MolForge

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Related Compounds

4-[32-(3-carboxypropanoyloxy)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenoxy]-4-oxobutanoic acid
CID 91064271
24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoic acid
CID 162947696
(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,30-octamethylhentriaconta-2,6,8,10,12,14,16,18,20,22,24,26,29-tridecaen-1-ol
CID 11993594
carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene
CID 173093653
3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene
CID 123202578
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,26-dodecaenoic acid
CID 50986066
methyl 2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23-hexamethylpentacosa-2,6,8,10,12,14,16,18,20,22,24-undecaenoxy]carbonylamino]acetate
CID 59805041
(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene
CID 58079855
2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaene
CID 53395140
2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene
CID 123174328
(6E,8E,10Z,12E,14Z,16E,18Z,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
CID 21145326
dimethyl (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenedioate
CID 58913835

Frequently Asked Questions

What is the IUPAC name of (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol;oxolane-2,5-dione;4-oxo-4-[(2E,6E,8E,10E,12E,14E)-2,6,10,14-tetramethylhexadeca-2,6,8,10,12,14-hexaenoxy]butanoic acid;4-oxo-4-[(2E,6E,8E,10E,12E,14E,16E)-2,6,10,14-tetramethyloctadeca-2,6,8,10,12,14,16-heptaenoxy]butanoic acid?
The IUPAC name of (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol;oxolane-2,5-dione;4-oxo-4-[(2E,6E,8E,10E,12E,14E)-2,6,10,14-tetramethylhexadeca-2,6,8,10,12,14-hexaenoxy]butanoic acid;4-oxo-4-[(2E,6E,8E,10E,12E,14E,16E)-2,6,10,14-tetramethyloctadeca-2,6,8,10,12,14,16-heptaenoxy]butanoic acid (CID 158296001) is (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol;oxolane-2,5-dione;4-oxo-4-[(2E,6E,8E,10E,12E,14E)-2,6,10,14-tetramethylhexadeca-2,6,8,10,12,14-hexaenoxy]butanoic acid;4-oxo-4-[(2E,6E,8E,10E,12E,14E,16E)-2,6,10,14-tetramethyloctadeca-2,6,8,10,12,14,16-heptaenoxy]butanoic acid.
What is the SMILES notation for (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol;oxolane-2,5-dione;4-oxo-4-[(2E,6E,8E,10E,12E,14E)-2,6,10,14-tetramethylhexadeca-2,6,8,10,12,14-hexaenoxy]butanoic acid;4-oxo-4-[(2E,6E,8E,10E,12E,14E,16E)-2,6,10,14-tetramethyloctadeca-2,6,8,10,12,14,16-heptaenoxy]butanoic acid?
The canonical SMILES for (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol;oxolane-2,5-dione;4-oxo-4-[(2E,6E,8E,10E,12E,14E)-2,6,10,14-tetramethylhexadeca-2,6,8,10,12,14-hexaenoxy]butanoic acid;4-oxo-4-[(2E,6E,8E,10E,12E,14E,16E)-2,6,10,14-tetramethyloctadeca-2,6,8,10,12,14,16-heptaenoxy]butanoic acid is C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)COC(=O)CCC(=O)O.C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)COC(=O)CCC(=O)O.CC(/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CO)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CC/C=C(\C)CO.O=C1CCC(=O)O1.
What is the InChIKey of (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol;oxolane-2,5-dione;4-oxo-4-[(2E,6E,8E,10E,12E,14E)-2,6,10,14-tetramethylhexadeca-2,6,8,10,12,14-hexaenoxy]butanoic acid;4-oxo-4-[(2E,6E,8E,10E,12E,14E,16E)-2,6,10,14-tetramethyloctadeca-2,6,8,10,12,14,16-heptaenoxy]butanoic acid?
The InChIKey is GLXKPWJYTQMHNI-HAPPURBUSA-N. The full InChI is InChI=1S/C40H56O2.C26H36O4.C24H34O4.C4H4O3/c1-33(19-11-21-35(3)23-13-25-37(5)27-15-29-39(7)31-41)17-9-10-18-34(2)20-12-22-36(4)24-14-26-38(6)28-16-30-40(8)32-42;1-6-7-11-21(2)12-8-13-22(3)14-9-15-23(4)16-10-17-24(5)20-30-26(29)19-18-25(27)28;1-6-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)18-28-24(27)17-16-23(25)26;5-3-1-2-4(6)7-3/h9-14,17-26,29-30,41-42H,15-16,27-28,31-32H2,1-8H3;6-9,11-15,17H,10,16,18-20H2,1-5H3,(H,27,28);6-8,10-13,15H,9,14,16-18H2,1-5H3,(H,25,26);1-2H2/b10-9+,19-11+,20-12+,23-13+,24-14+,33-17+,34-18+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+;7-6+,12-8+,14-9+,21-11+,22-13+,23-15+,24-17+;10-7+,12-8+,19-6+,20-11+,21-13+,22-15+;.
What are the key properties of (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol;oxolane-2,5-dione;4-oxo-4-[(2E,6E,8E,10E,12E,14E)-2,6,10,14-tetramethylhexadeca-2,6,8,10,12,14-hexaenoxy]butanoic acid;4-oxo-4-[(2E,6E,8E,10E,12E,14E,16E)-2,6,10,14-tetramethyloctadeca-2,6,8,10,12,14,16-heptaenoxy]butanoic acid?
(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol;oxolane-2,5-dione;4-oxo-4-[(2E,6E,8E,10E,12E,14E)-2,6,10,14-tetramethylhexadeca-2,6,8,10,12,14-hexaenoxy]butanoic acid;4-oxo-4-[(2E,6E,8E,10E,12E,14E,16E)-2,6,10,14-tetramethyloctadeca-2,6,8,10,12,14,16-heptaenoxy]butanoic acid has a molecular weight of 1468.06 g/mol, XLogP of 23.47, 43 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol;oxolane-2,5-dione;4-oxo-4-[(2E,6E,8E,10E,12E,14E)-2,6,10,14-tetramethylhexadeca-2,6,8,10,12,14-hexaenoxy]butanoic acid;4-oxo-4-[(2E,6E,8E,10E,12E,14E,16E)-2,6,10,14-tetramethyloctadeca-2,6,8,10,12,14,16-heptaenoxy]butanoic acid is sourced from PubChem (CID 158296001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).