dimethyl (Z)-but-2-enedioate;dimethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate;bis((6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene);5-[(3E)-4,8-dimethylnona-3,7-dienyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;4-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N,2-N-tetramethylcyclohex-4-ene-1,2-dicarboxamide;furan-2,5-dione

C103H154N2O16 — CID 160970486

IUPACdimethyl (Z)-but-2-enedioate;dimethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate;bis((6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene);5-[(3E)-4,8-dimethylnona-3,7-dienyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;4-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N,2-N-tetramethylcyclohex-4-ene-1,2-dicarboxamide;furan-2,5-dione
SMILESC=CC(=C)CC/C=C(\C)CCC=C(C)C.C=CC(=C)CC/C=C(\C)CCC=C(C)C.CC(C)=CCC/C(C)=C/CCC1=CCC(C(=O)N(C)C)C(C(=O)N(C)C)C1.CC(C)=CCC/C(C)=C/CCC1=CCC2C(=O)OC(=O)C2C1.COC(=O)/C=C\C(=O)OC.COC(=O)C1CC=C(CC/C=C(\C)CCC=C(C)C)CC1C(=O)OC.O=C1C=CC(=O)O1
InChIInChI=1S/C23H38N2O2.C21H32O4.C19H26O3.2C15H24.C6H8O4.C4H2O3/c1-17(2)10-8-11-18(3)12-9-13-19-14-15-20(22(26)24(4)5)21(16-19)23(27)25(6)7;1-15(2)8-6-9-16(3)10-7-11-17-12-13-18(20(22)24-4)19(14-17)21(23)25-5;1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-17(12-15)19(21)22-18(16)20;2*1-6-14(4)10-8-12-15(5)11-7-9-13(2)3;1-9-5(7)3-4-6(8)10-2;5-3-1-2-4(6)7-3/h10,12,14,20-21H,8-9,11,13,15-16H2,1-7H3;8,10,12,18-19H,6-7,9,11,13-14H2,1-5H3;6,8,10,16-17H,4-5,7,9,11-12H2,1-3H3;2*6,9,12H,1,4,7-8,10-11H2,2-3,5H3;3-4H,1-2H3;1-2H/b18-12+;16-10+;14-8+;2*15-12+;4-3-;
InChIKeySYEOEESRRJHYTA-XAEZLDJTSA-N
MW1676.36 g/mol
LogP23.76
Rot. Bonds38

About dimethyl (Z)-but-2-enedioate;dimethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate;bis((6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene);5-[(3E)-4,8-dimethylnona-3,7-dienyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;4-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N,2-N-tetramethylcyclohex-4-ene-1,2-dicarboxamide;furan-2,5-dione

dimethyl (Z)-but-2-enedioate;dimethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate;bis((6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene);5-[(3E)-4,8-dimethylnona-3,7-dienyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;4-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N,2-N-tetramethylcyclohex-4-ene-1,2-dicarboxamide;furan-2,5-dione (PubChem CID 160970486) has the molecular formula C103H154N2O16 and a molecular weight of 1676.36 g/mol. Its IUPAC name is dimethyl (Z)-but-2-enedioate;dimethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate;bis((6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene);5-[(3E)-4,8-dimethylnona-3,7-dienyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;4-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N,2-N-tetramethylcyclohex-4-ene-1,2-dicarboxamide;furan-2,5-dione.

Molecular Properties

Compound Namedimethyl (Z)-but-2-enedioate;dimethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate;bis((6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene);5-[(3E)-4,8-dimethylnona-3,7-dienyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;4-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N,2-N-tetramethylcyclohex-4-ene-1,2-dicarboxamide;furan-2,5-dione
PubChem CID160970486
Molecular FormulaC103H154N2O16
Molecular Weight1676.36 g/mol
Exact Mass1675.13
IUPAC Namedimethyl (Z)-but-2-enedioate;dimethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate;bis((6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene);5-[(3E)-4,8-dimethylnona-3,7-dienyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;4-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N,2-N-tetramethylcyclohex-4-ene-1,2-dicarboxamide;furan-2,5-dione
SMILESC=CC(=C)CC/C=C(\C)CCC=C(C)C.C=CC(=C)CC/C=C(\C)CCC=C(C)C.CC(C)=CCC/C(C)=C/CCC1=CCC(C(=O)N(C)C)C(C(=O)N(C)C)C1.CC(C)=CCC/C(C)=C/CCC1=CCC2C(=O)OC(=O)C2C1.COC(=O)/C=C\C(=O)OC.COC(=O)C1CC=C(CC/C=C(\C)CCC=C(C)C)CC1C(=O)OC.O=C1C=CC(=O)O1
InChIInChI=1S/C23H38N2O2.C21H32O4.C19H26O3.2C15H24.C6H8O4.C4H2O3/c1-17(2)10-8-11-18(3)12-9-13-19-14-15-20(22(26)24(4)5)21(16-19)23(27)25(6)7;1-15(2)8-6-9-16(3)10-7-11-17-12-13-18(20(22)24-4)19(14-17)21(23)25-5;1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-17(12-15)19(21)22-18(16)20;2*1-6-14(4)10-8-12-15(5)11-7-9-13(2)3;1-9-5(7)3-4-6(8)10-2;5-3-1-2-4(6)7-3/h10,12,14,20-21H,8-9,11,13,15-16H2,1-7H3;8,10,12,18-19H,6-7,9,11,13-14H2,1-5H3;6,8,10,16-17H,4-5,7,9,11-12H2,1-3H3;2*6,9,12H,1,4,7-8,10-11H2,2-3,5H3;3-4H,1-2H3;1-2H/b18-12+;16-10+;14-8+;2*15-12+;4-3-;
InChIKeySYEOEESRRJHYTA-XAEZLDJTSA-N
XLogP23.76
TPSA232.56 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds38
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001676.36
LogP ≤ 523.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze dimethyl (Z)-but-2-enedioate;dimethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate;bis((6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene);5-[(3E)-4,8-dimethylnona-3,7-dienyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;4-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N,2-N-tetramethylcyclohex-4-ene-1,2-dicarboxamide;furan-2,5-dione with MolForge

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Related Compounds

dimethyl 4-(4-methylocta-3,7-dienyl)cyclohex-4-ene-1,2-dicarboxylate
CID 123926902
methyl (1R,6S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylcyclohex-3-ene-1-carboxylate
CID 138726323
dibutyl (1R,2S)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate
CID 90326837
methyl 3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carboxylate
CID 161325290
dimethyl (1S)-3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-5-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate
CID 166933300
methyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methoxycyclohex-3-ene-1-carboxylate
CID 10639444
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
dimethyl 4-(6-methylhept-5-en-2-yl)cyclohex-4-ene-1,2-dicarboxylate
CID 163556898
(4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene
CID 169000974
5-(4-methylpent-3-enyl)-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 90326819
3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,5-dihydrothiophene 1,1-dioxide
CID 164597144
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;phosphono dihydrogen phosphate
CID 90389130

Frequently Asked Questions

What is the IUPAC name of dimethyl (Z)-but-2-enedioate;dimethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate;bis((6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene);5-[(3E)-4,8-dimethylnona-3,7-dienyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;4-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N,2-N-tetramethylcyclohex-4-ene-1,2-dicarboxamide;furan-2,5-dione?
The IUPAC name of dimethyl (Z)-but-2-enedioate;dimethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate;bis((6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene);5-[(3E)-4,8-dimethylnona-3,7-dienyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;4-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N,2-N-tetramethylcyclohex-4-ene-1,2-dicarboxamide;furan-2,5-dione (CID 160970486) is dimethyl (Z)-but-2-enedioate;dimethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate;bis((6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene);5-[(3E)-4,8-dimethylnona-3,7-dienyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;4-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N,2-N-tetramethylcyclohex-4-ene-1,2-dicarboxamide;furan-2,5-dione.
What is the SMILES notation for dimethyl (Z)-but-2-enedioate;dimethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate;bis((6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene);5-[(3E)-4,8-dimethylnona-3,7-dienyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;4-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N,2-N-tetramethylcyclohex-4-ene-1,2-dicarboxamide;furan-2,5-dione?
The canonical SMILES for dimethyl (Z)-but-2-enedioate;dimethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate;bis((6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene);5-[(3E)-4,8-dimethylnona-3,7-dienyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;4-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N,2-N-tetramethylcyclohex-4-ene-1,2-dicarboxamide;furan-2,5-dione is C=CC(=C)CC/C=C(\C)CCC=C(C)C.C=CC(=C)CC/C=C(\C)CCC=C(C)C.CC(C)=CCC/C(C)=C/CCC1=CCC(C(=O)N(C)C)C(C(=O)N(C)C)C1.CC(C)=CCC/C(C)=C/CCC1=CCC2C(=O)OC(=O)C2C1.COC(=O)/C=C\C(=O)OC.COC(=O)C1CC=C(CC/C=C(\C)CCC=C(C)C)CC1C(=O)OC.O=C1C=CC(=O)O1.
What is the InChIKey of dimethyl (Z)-but-2-enedioate;dimethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate;bis((6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene);5-[(3E)-4,8-dimethylnona-3,7-dienyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;4-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N,2-N-tetramethylcyclohex-4-ene-1,2-dicarboxamide;furan-2,5-dione?
The InChIKey is SYEOEESRRJHYTA-XAEZLDJTSA-N. The full InChI is InChI=1S/C23H38N2O2.C21H32O4.C19H26O3.2C15H24.C6H8O4.C4H2O3/c1-17(2)10-8-11-18(3)12-9-13-19-14-15-20(22(26)24(4)5)21(16-19)23(27)25(6)7;1-15(2)8-6-9-16(3)10-7-11-17-12-13-18(20(22)24-4)19(14-17)21(23)25-5;1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-17(12-15)19(21)22-18(16)20;2*1-6-14(4)10-8-12-15(5)11-7-9-13(2)3;1-9-5(7)3-4-6(8)10-2;5-3-1-2-4(6)7-3/h10,12,14,20-21H,8-9,11,13,15-16H2,1-7H3;8,10,12,18-19H,6-7,9,11,13-14H2,1-5H3;6,8,10,16-17H,4-5,7,9,11-12H2,1-3H3;2*6,9,12H,1,4,7-8,10-11H2,2-3,5H3;3-4H,1-2H3;1-2H/b18-12+;16-10+;14-8+;2*15-12+;4-3-;.
What are the key properties of dimethyl (Z)-but-2-enedioate;dimethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate;bis((6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene);5-[(3E)-4,8-dimethylnona-3,7-dienyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;4-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N,2-N-tetramethylcyclohex-4-ene-1,2-dicarboxamide;furan-2,5-dione?
dimethyl (Z)-but-2-enedioate;dimethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate;bis((6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene);5-[(3E)-4,8-dimethylnona-3,7-dienyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;4-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N,2-N-tetramethylcyclohex-4-ene-1,2-dicarboxamide;furan-2,5-dione has a molecular weight of 1676.36 g/mol, XLogP of 23.76, 38 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (Z)-but-2-enedioate;dimethyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-4-ene-1,2-dicarboxylate;bis((6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene);5-[(3E)-4,8-dimethylnona-3,7-dienyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;4-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N,2-N-tetramethylcyclohex-4-ene-1,2-dicarboxamide;furan-2,5-dione is sourced from PubChem (CID 160970486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).