dec-1-ene;dimethyl (E)-octadec-9-enedioate;(E)-dodec-5-ene;[1-hexadecanoyloxy-3-[(9Z,12Z)-pentadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate;hex-1-ene;methyl dec-9-enoate;methyl (9E,12E)-heptadeca-9,12-dienoate;bis(methyl (E)-tetradec-9-enoate);(E)-pentadec-6-ene;(E)-tetradec-5-ene;(E)-undec-5-ene

C199H374O18 — CID 159858182

IUPACdec-1-ene;dimethyl (E)-octadec-9-enedioate;(E)-dodec-5-ene;[1-hexadecanoyloxy-3-[(9Z,12Z)-pentadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate;hex-1-ene;methyl dec-9-enoate;methyl (9E,12E)-heptadeca-9,12-dienoate;bis(methyl (E)-tetradec-9-enoate);(E)-pentadec-6-ene;(E)-tetradec-5-ene;(E)-undec-5-ene
SMILESC=CCCCC.C=CCCCCCCCC.C=CCCCCCCCC(=O)OC.CC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.CCCC/C=C/C/C=C/CCCCCCCC(=O)OC.CCCC/C=C/CCCCC.CCCC/C=C/CCCCCC.CCCC/C=C/CCCCCCCC.CCCC/C=C/CCCCCCCC(=O)OC.CCCC/C=C/CCCCCCCC(=O)OC.CCCCC/C=C/CCCCCCCC.COC(=O)CCCCCCC/C=C/CCCCCCCC(=O)OC
InChIInChI=1S/C52H94O6.C20H36O4.C18H32O2.2C15H28O2.C15H30.C14H28.C12H24.C11H20O2.C11H22.C10H20.C6H12/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2;1-23-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)24-2;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2;2*1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;1-3-4-5-6-7-8-9-10-11(12)13-2;1-3-5-7-9-11-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2;1-3-5-6-4-2/h9,12,18,21,25-26,49H,4-8,10-11,13-17,19-20,22-24,27-48H2,1-3H3;3-4H,5-18H2,1-2H3;6-7,9-10H,3-5,8,11-17H2,1-2H3;2*6-7H,3-5,8-14H2,1-2H3;11,13H,3-10,12,14-15H2,1-2H3;9,11H,3-8,10,12-14H2,1-2H3;9,11H,3-8,10,12H2,1-2H3;3H,1,4-10H2,2H3;9,11H,3-8,10H2,1-2H3;3H,1,4-10H2,2H3;3H,1,4-6H2,2H3/b12-9-,21-18-,26-25-;4-3+;7-6+,10-9+;2*7-6+;13-11+;2*11-9+;;11-9+;;
InChIKeyNQUKESQVWWOUHA-DJQYTALDSA-N
MW3055.16 g/mol
LogP66.09
Rot. Bonds150

About dec-1-ene;dimethyl (E)-octadec-9-enedioate;(E)-dodec-5-ene;[1-hexadecanoyloxy-3-[(9Z,12Z)-pentadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate;hex-1-ene;methyl dec-9-enoate;methyl (9E,12E)-heptadeca-9,12-dienoate;bis(methyl (E)-tetradec-9-enoate);(E)-pentadec-6-ene;(E)-tetradec-5-ene;(E)-undec-5-ene

dec-1-ene;dimethyl (E)-octadec-9-enedioate;(E)-dodec-5-ene;[1-hexadecanoyloxy-3-[(9Z,12Z)-pentadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate;hex-1-ene;methyl dec-9-enoate;methyl (9E,12E)-heptadeca-9,12-dienoate;bis(methyl (E)-tetradec-9-enoate);(E)-pentadec-6-ene;(E)-tetradec-5-ene;(E)-undec-5-ene (PubChem CID 159858182) has the molecular formula C199H374O18 and a molecular weight of 3055.16 g/mol. Its IUPAC name is dec-1-ene;dimethyl (E)-octadec-9-enedioate;(E)-dodec-5-ene;[1-hexadecanoyloxy-3-[(9Z,12Z)-pentadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate;hex-1-ene;methyl dec-9-enoate;methyl (9E,12E)-heptadeca-9,12-dienoate;bis(methyl (E)-tetradec-9-enoate);(E)-pentadec-6-ene;(E)-tetradec-5-ene;(E)-undec-5-ene.

Molecular Properties

Compound Namedec-1-ene;dimethyl (E)-octadec-9-enedioate;(E)-dodec-5-ene;[1-hexadecanoyloxy-3-[(9Z,12Z)-pentadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate;hex-1-ene;methyl dec-9-enoate;methyl (9E,12E)-heptadeca-9,12-dienoate;bis(methyl (E)-tetradec-9-enoate);(E)-pentadec-6-ene;(E)-tetradec-5-ene;(E)-undec-5-ene
PubChem CID159858182
Molecular FormulaC199H374O18
Molecular Weight3055.16 g/mol
Exact Mass3052.84
IUPAC Namedec-1-ene;dimethyl (E)-octadec-9-enedioate;(E)-dodec-5-ene;[1-hexadecanoyloxy-3-[(9Z,12Z)-pentadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate;hex-1-ene;methyl dec-9-enoate;methyl (9E,12E)-heptadeca-9,12-dienoate;bis(methyl (E)-tetradec-9-enoate);(E)-pentadec-6-ene;(E)-tetradec-5-ene;(E)-undec-5-ene
SMILESC=CCCCC.C=CCCCCCCCC.C=CCCCCCCCC(=O)OC.CC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.CCCC/C=C/C/C=C/CCCCCCCC(=O)OC.CCCC/C=C/CCCCC.CCCC/C=C/CCCCCC.CCCC/C=C/CCCCCCCC.CCCC/C=C/CCCCCCCC(=O)OC.CCCC/C=C/CCCCCCCC(=O)OC.CCCCC/C=C/CCCCCCCC.COC(=O)CCCCCCC/C=C/CCCCCCCC(=O)OC
InChIInChI=1S/C52H94O6.C20H36O4.C18H32O2.2C15H28O2.C15H30.C14H28.C12H24.C11H20O2.C11H22.C10H20.C6H12/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2;1-23-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)24-2;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2;2*1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;1-3-4-5-6-7-8-9-10-11(12)13-2;1-3-5-7-9-11-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2;1-3-5-6-4-2/h9,12,18,21,25-26,49H,4-8,10-11,13-17,19-20,22-24,27-48H2,1-3H3;3-4H,5-18H2,1-2H3;6-7,9-10H,3-5,8,11-17H2,1-2H3;2*6-7H,3-5,8-14H2,1-2H3;11,13H,3-10,12,14-15H2,1-2H3;9,11H,3-8,10,12-14H2,1-2H3;9,11H,3-8,10,12H2,1-2H3;3H,1,4-10H2,2H3;9,11H,3-8,10H2,1-2H3;3H,1,4-10H2,2H3;3H,1,4-6H2,2H3/b12-9-,21-18-,26-25-;4-3+;7-6+,10-9+;2*7-6+;13-11+;2*11-9+;;11-9+;;
InChIKeyNQUKESQVWWOUHA-DJQYTALDSA-N
XLogP66.09
TPSA236.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds150
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003055.16
LogP ≤ 566.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze dec-1-ene;dimethyl (E)-octadec-9-enedioate;(E)-dodec-5-ene;[1-hexadecanoyloxy-3-[(9Z,12Z)-pentadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate;hex-1-ene;methyl dec-9-enoate;methyl (9E,12E)-heptadeca-9,12-dienoate;bis(methyl (E)-tetradec-9-enoate);(E)-pentadec-6-ene;(E)-tetradec-5-ene;(E)-undec-5-ene with MolForge

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Related Compounds

[2-dec-9-enoyloxy-3-[(Z)-dodec-9-enoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 118408513
[(2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
CID 131759128
[3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-[(Z)-nonadec-9-enoyl]oxypropyl] (10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaenoate
CID 165233515
[(2S)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] tetracosanoate
CID 131758496
[3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-[(13Z,16Z)-tetracosa-13,16-dienoyl]oxypropyl] (8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-8,11,14,17,20,23-hexaenoate
CID 165186500
[3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropyl] heptacosanoate
CID 165206523
[(2S)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-docos-13-enoate
CID 131762262
[3-tetradecanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (20Z,23Z,26Z,29Z)-dotriaconta-20,23,26,29-tetraenoate
CID 164504821
[3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-[(9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoyl]oxypropyl] (Z)-hexacos-15-enoate
CID 165276108
[3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (7Z,10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-7,10,13,16,19,22,25-heptaenoate
CID 165294651
[3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-[(12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoyl]oxypropyl] nonacosanoate
CID 165299184
[3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] heptacosanoate
CID 165309653

Frequently Asked Questions

What is the IUPAC name of dec-1-ene;dimethyl (E)-octadec-9-enedioate;(E)-dodec-5-ene;[1-hexadecanoyloxy-3-[(9Z,12Z)-pentadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate;hex-1-ene;methyl dec-9-enoate;methyl (9E,12E)-heptadeca-9,12-dienoate;bis(methyl (E)-tetradec-9-enoate);(E)-pentadec-6-ene;(E)-tetradec-5-ene;(E)-undec-5-ene?
The IUPAC name of dec-1-ene;dimethyl (E)-octadec-9-enedioate;(E)-dodec-5-ene;[1-hexadecanoyloxy-3-[(9Z,12Z)-pentadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate;hex-1-ene;methyl dec-9-enoate;methyl (9E,12E)-heptadeca-9,12-dienoate;bis(methyl (E)-tetradec-9-enoate);(E)-pentadec-6-ene;(E)-tetradec-5-ene;(E)-undec-5-ene (CID 159858182) is dec-1-ene;dimethyl (E)-octadec-9-enedioate;(E)-dodec-5-ene;[1-hexadecanoyloxy-3-[(9Z,12Z)-pentadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate;hex-1-ene;methyl dec-9-enoate;methyl (9E,12E)-heptadeca-9,12-dienoate;bis(methyl (E)-tetradec-9-enoate);(E)-pentadec-6-ene;(E)-tetradec-5-ene;(E)-undec-5-ene.
What is the SMILES notation for dec-1-ene;dimethyl (E)-octadec-9-enedioate;(E)-dodec-5-ene;[1-hexadecanoyloxy-3-[(9Z,12Z)-pentadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate;hex-1-ene;methyl dec-9-enoate;methyl (9E,12E)-heptadeca-9,12-dienoate;bis(methyl (E)-tetradec-9-enoate);(E)-pentadec-6-ene;(E)-tetradec-5-ene;(E)-undec-5-ene?
The canonical SMILES for dec-1-ene;dimethyl (E)-octadec-9-enedioate;(E)-dodec-5-ene;[1-hexadecanoyloxy-3-[(9Z,12Z)-pentadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate;hex-1-ene;methyl dec-9-enoate;methyl (9E,12E)-heptadeca-9,12-dienoate;bis(methyl (E)-tetradec-9-enoate);(E)-pentadec-6-ene;(E)-tetradec-5-ene;(E)-undec-5-ene is C=CCCCC.C=CCCCCCCCC.C=CCCCCCCCC(=O)OC.CC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.CCCC/C=C/C/C=C/CCCCCCCC(=O)OC.CCCC/C=C/CCCCC.CCCC/C=C/CCCCCC.CCCC/C=C/CCCCCCCC.CCCC/C=C/CCCCCCCC(=O)OC.CCCC/C=C/CCCCCCCC(=O)OC.CCCCC/C=C/CCCCCCCC.COC(=O)CCCCCCC/C=C/CCCCCCCC(=O)OC.
What is the InChIKey of dec-1-ene;dimethyl (E)-octadec-9-enedioate;(E)-dodec-5-ene;[1-hexadecanoyloxy-3-[(9Z,12Z)-pentadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate;hex-1-ene;methyl dec-9-enoate;methyl (9E,12E)-heptadeca-9,12-dienoate;bis(methyl (E)-tetradec-9-enoate);(E)-pentadec-6-ene;(E)-tetradec-5-ene;(E)-undec-5-ene?
The InChIKey is NQUKESQVWWOUHA-DJQYTALDSA-N. The full InChI is InChI=1S/C52H94O6.C20H36O4.C18H32O2.2C15H28O2.C15H30.C14H28.C12H24.C11H20O2.C11H22.C10H20.C6H12/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2;1-23-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)24-2;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2;2*1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;1-3-4-5-6-7-8-9-10-11(12)13-2;1-3-5-7-9-11-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2;1-3-5-6-4-2/h9,12,18,21,25-26,49H,4-8,10-11,13-17,19-20,22-24,27-48H2,1-3H3;3-4H,5-18H2,1-2H3;6-7,9-10H,3-5,8,11-17H2,1-2H3;2*6-7H,3-5,8-14H2,1-2H3;11,13H,3-10,12,14-15H2,1-2H3;9,11H,3-8,10,12-14H2,1-2H3;9,11H,3-8,10,12H2,1-2H3;3H,1,4-10H2,2H3;9,11H,3-8,10H2,1-2H3;3H,1,4-10H2,2H3;3H,1,4-6H2,2H3/b12-9-,21-18-,26-25-;4-3+;7-6+,10-9+;2*7-6+;13-11+;2*11-9+;;11-9+;;.
What are the key properties of dec-1-ene;dimethyl (E)-octadec-9-enedioate;(E)-dodec-5-ene;[1-hexadecanoyloxy-3-[(9Z,12Z)-pentadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate;hex-1-ene;methyl dec-9-enoate;methyl (9E,12E)-heptadeca-9,12-dienoate;bis(methyl (E)-tetradec-9-enoate);(E)-pentadec-6-ene;(E)-tetradec-5-ene;(E)-undec-5-ene?
dec-1-ene;dimethyl (E)-octadec-9-enedioate;(E)-dodec-5-ene;[1-hexadecanoyloxy-3-[(9Z,12Z)-pentadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate;hex-1-ene;methyl dec-9-enoate;methyl (9E,12E)-heptadeca-9,12-dienoate;bis(methyl (E)-tetradec-9-enoate);(E)-pentadec-6-ene;(E)-tetradec-5-ene;(E)-undec-5-ene has a molecular weight of 3055.16 g/mol, XLogP of 66.09, 150 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dec-1-ene;dimethyl (E)-octadec-9-enedioate;(E)-dodec-5-ene;[1-hexadecanoyloxy-3-[(9Z,12Z)-pentadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate;hex-1-ene;methyl dec-9-enoate;methyl (9E,12E)-heptadeca-9,12-dienoate;bis(methyl (E)-tetradec-9-enoate);(E)-pentadec-6-ene;(E)-tetradec-5-ene;(E)-undec-5-ene is sourced from PubChem (CID 159858182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).