bis[(Z)-hept-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-hex-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-non-2-enyl] (2Z,5Z,11Z,14Z)-9-[4-(dimethylamino)butanoyloxy]heptadeca-2,5,11,14-tetraenedioate;bis[(Z)-pent-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;diheptyl 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;dioctyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate

C224H406N6O36 — CID 161351590

IUPACbis[(Z)-hept-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-hex-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-non-2-enyl] (2Z,5Z,11Z,14Z)-9-[4-(dimethylamino)butanoyloxy]heptadeca-2,5,11,14-tetraenedioate;bis[(Z)-pent-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;diheptyl 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;dioctyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate
SMILESCC/C=C\COC(=O)CCCCCCCC(CCCCCCCC(=O)OC/C=C\CC)OC(=O)CCCN(C)C.CCC/C=C\COC(=O)CCCCCCCC(CCCCCCCC(=O)OC/C=C\CCC)OC(=O)CCCN(C)C.CCCC/C=C\COC(=O)CCCCCCCC(CCCCCCCC(=O)OC/C=C\CCCC)OC(=O)CCCN(C)C.CCCCCC/C=C\COC(=O)/C=C\C/C=C\CCC(C/C=C\C/C=C\CC(=O)OC/C=C\CCCCCC)OC(=O)CCCN(C)C.CCCCCCCCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCCCCCCC)OC(=O)CCCN(C)C.CCCCCCCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCCCCCC)OC(=O)CCCN(C)C
InChIInChI=1S/C41H79NO6.C41H67NO6.C37H71NO6.C37H67NO6.C35H63NO6.C33H59NO6/c1-5-7-9-11-21-27-36-46-39(43)32-25-19-15-13-17-23-30-38(48-41(45)34-29-35-42(3)4)31-24-18-14-16-20-26-33-40(44)47-37-28-22-12-10-8-6-2;1-5-7-9-11-13-21-27-36-46-39(43)32-25-19-15-17-23-30-38(48-41(45)34-29-35-42(3)4)31-24-18-16-20-26-33-40(44)47-37-28-22-14-12-10-8-6-2;2*1-5-7-9-17-23-32-42-35(39)28-21-15-11-13-19-26-34(44-37(41)30-25-31-38(3)4)27-20-14-12-16-22-29-36(40)43-33-24-18-10-8-6-2;1-5-7-9-21-30-40-33(37)26-19-15-11-13-17-24-32(42-35(39)28-23-29-36(3)4)25-18-14-12-16-20-27-34(38)41-31-22-10-8-6-2;1-5-7-19-28-38-31(35)24-17-13-9-11-15-22-30(40-33(37)26-21-27-34(3)4)23-16-12-10-14-18-25-32(36)39-29-20-8-6-2/h38H,5-37H2,1-4H3;15,17-18,20-22,24-28,32,38H,5-14,16,19,23,29-31,33-37H2,1-4H3;34H,5-33H2,1-4H3;17-18,23-24,34H,5-16,19-22,25-33H2,1-4H3;9-10,21-22,32H,5-8,11-20,23-31H2,1-4H3;7-8,19-20,30H,5-6,9-18,21-29H2,1-4H3/b;17-15-,24-18-,26-20-,27-21-,28-22-,32-25-;;23-17-,24-18-;21-9-,22-10-;19-7-,20-8-
InChIKeyVNZOGUMNCLUCPE-QBSSHKQHSA-N
MW3759.72 g/mol
LogP56.46
Rot. Bonds188

About bis[(Z)-hept-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-hex-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-non-2-enyl] (2Z,5Z,11Z,14Z)-9-[4-(dimethylamino)butanoyloxy]heptadeca-2,5,11,14-tetraenedioate;bis[(Z)-pent-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;diheptyl 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;dioctyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate

bis[(Z)-hept-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-hex-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-non-2-enyl] (2Z,5Z,11Z,14Z)-9-[4-(dimethylamino)butanoyloxy]heptadeca-2,5,11,14-tetraenedioate;bis[(Z)-pent-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;diheptyl 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;dioctyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate (PubChem CID 161351590) has the molecular formula C224H406N6O36 and a molecular weight of 3759.72 g/mol. Its IUPAC name is bis[(Z)-hept-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-hex-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-non-2-enyl] (2Z,5Z,11Z,14Z)-9-[4-(dimethylamino)butanoyloxy]heptadeca-2,5,11,14-tetraenedioate;bis[(Z)-pent-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;diheptyl 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;dioctyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate.

Molecular Properties

Compound Namebis[(Z)-hept-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-hex-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-non-2-enyl] (2Z,5Z,11Z,14Z)-9-[4-(dimethylamino)butanoyloxy]heptadeca-2,5,11,14-tetraenedioate;bis[(Z)-pent-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;diheptyl 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;dioctyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate
PubChem CID161351590
Molecular FormulaC224H406N6O36
Molecular Weight3759.72 g/mol
Exact Mass3757.01
IUPAC Namebis[(Z)-hept-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-hex-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-non-2-enyl] (2Z,5Z,11Z,14Z)-9-[4-(dimethylamino)butanoyloxy]heptadeca-2,5,11,14-tetraenedioate;bis[(Z)-pent-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;diheptyl 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;dioctyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate
SMILESCC/C=C\COC(=O)CCCCCCCC(CCCCCCCC(=O)OC/C=C\CC)OC(=O)CCCN(C)C.CCC/C=C\COC(=O)CCCCCCCC(CCCCCCCC(=O)OC/C=C\CCC)OC(=O)CCCN(C)C.CCCC/C=C\COC(=O)CCCCCCCC(CCCCCCCC(=O)OC/C=C\CCCC)OC(=O)CCCN(C)C.CCCCCC/C=C\COC(=O)/C=C\C/C=C\CCC(C/C=C\C/C=C\CC(=O)OC/C=C\CCCCCC)OC(=O)CCCN(C)C.CCCCCCCCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCCCCCCC)OC(=O)CCCN(C)C.CCCCCCCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCCCCCC)OC(=O)CCCN(C)C
InChIInChI=1S/C41H79NO6.C41H67NO6.C37H71NO6.C37H67NO6.C35H63NO6.C33H59NO6/c1-5-7-9-11-21-27-36-46-39(43)32-25-19-15-13-17-23-30-38(48-41(45)34-29-35-42(3)4)31-24-18-14-16-20-26-33-40(44)47-37-28-22-12-10-8-6-2;1-5-7-9-11-13-21-27-36-46-39(43)32-25-19-15-17-23-30-38(48-41(45)34-29-35-42(3)4)31-24-18-16-20-26-33-40(44)47-37-28-22-14-12-10-8-6-2;2*1-5-7-9-17-23-32-42-35(39)28-21-15-11-13-19-26-34(44-37(41)30-25-31-38(3)4)27-20-14-12-16-22-29-36(40)43-33-24-18-10-8-6-2;1-5-7-9-21-30-40-33(37)26-19-15-11-13-17-24-32(42-35(39)28-23-29-36(3)4)25-18-14-12-16-20-27-34(38)41-31-22-10-8-6-2;1-5-7-19-28-38-31(35)24-17-13-9-11-15-22-30(40-33(37)26-21-27-34(3)4)23-16-12-10-14-18-25-32(36)39-29-20-8-6-2/h38H,5-37H2,1-4H3;15,17-18,20-22,24-28,32,38H,5-14,16,19,23,29-31,33-37H2,1-4H3;34H,5-33H2,1-4H3;17-18,23-24,34H,5-16,19-22,25-33H2,1-4H3;9-10,21-22,32H,5-8,11-20,23-31H2,1-4H3;7-8,19-20,30H,5-6,9-18,21-29H2,1-4H3/b;17-15-,24-18-,26-20-,27-21-,28-22-,32-25-;;23-17-,24-18-;21-9-,22-10-;19-7-,20-8-
InChIKeyVNZOGUMNCLUCPE-QBSSHKQHSA-N
XLogP56.46
TPSA492.84 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds188
Heavy Atoms266
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003759.72
LogP ≤ 556.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

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

Analyze bis[(Z)-hept-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-hex-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-non-2-enyl] (2Z,5Z,11Z,14Z)-9-[4-(dimethylamino)butanoyloxy]heptadeca-2,5,11,14-tetraenedioate;bis[(Z)-pent-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;diheptyl 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;dioctyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis[(Z)-hept-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-hex-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-non-2-enyl] (2Z,5Z,11Z,14Z)-9-[4-(dimethylamino)butanoyloxy]heptadeca-2,5,11,14-tetraenedioate;bis[(Z)-pent-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;diheptyl 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;dioctyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate?
The IUPAC name of bis[(Z)-hept-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-hex-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-non-2-enyl] (2Z,5Z,11Z,14Z)-9-[4-(dimethylamino)butanoyloxy]heptadeca-2,5,11,14-tetraenedioate;bis[(Z)-pent-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;diheptyl 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;dioctyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate (CID 161351590) is bis[(Z)-hept-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-hex-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-non-2-enyl] (2Z,5Z,11Z,14Z)-9-[4-(dimethylamino)butanoyloxy]heptadeca-2,5,11,14-tetraenedioate;bis[(Z)-pent-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;diheptyl 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;dioctyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate.
What is the SMILES notation for bis[(Z)-hept-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-hex-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-non-2-enyl] (2Z,5Z,11Z,14Z)-9-[4-(dimethylamino)butanoyloxy]heptadeca-2,5,11,14-tetraenedioate;bis[(Z)-pent-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;diheptyl 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;dioctyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate?
The canonical SMILES for bis[(Z)-hept-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-hex-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-non-2-enyl] (2Z,5Z,11Z,14Z)-9-[4-(dimethylamino)butanoyloxy]heptadeca-2,5,11,14-tetraenedioate;bis[(Z)-pent-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;diheptyl 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;dioctyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate is CC/C=C\COC(=O)CCCCCCCC(CCCCCCCC(=O)OC/C=C\CC)OC(=O)CCCN(C)C.CCC/C=C\COC(=O)CCCCCCCC(CCCCCCCC(=O)OC/C=C\CCC)OC(=O)CCCN(C)C.CCCC/C=C\COC(=O)CCCCCCCC(CCCCCCCC(=O)OC/C=C\CCCC)OC(=O)CCCN(C)C.CCCCCC/C=C\COC(=O)/C=C\C/C=C\CCC(C/C=C\C/C=C\CC(=O)OC/C=C\CCCCCC)OC(=O)CCCN(C)C.CCCCCCCCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCCCCCCC)OC(=O)CCCN(C)C.CCCCCCCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCCCCCCC)OC(=O)CCCN(C)C.
What is the InChIKey of bis[(Z)-hept-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-hex-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-non-2-enyl] (2Z,5Z,11Z,14Z)-9-[4-(dimethylamino)butanoyloxy]heptadeca-2,5,11,14-tetraenedioate;bis[(Z)-pent-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;diheptyl 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;dioctyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate?
The InChIKey is VNZOGUMNCLUCPE-QBSSHKQHSA-N. The full InChI is InChI=1S/C41H79NO6.C41H67NO6.C37H71NO6.C37H67NO6.C35H63NO6.C33H59NO6/c1-5-7-9-11-21-27-36-46-39(43)32-25-19-15-13-17-23-30-38(48-41(45)34-29-35-42(3)4)31-24-18-14-16-20-26-33-40(44)47-37-28-22-12-10-8-6-2;1-5-7-9-11-13-21-27-36-46-39(43)32-25-19-15-17-23-30-38(48-41(45)34-29-35-42(3)4)31-24-18-16-20-26-33-40(44)47-37-28-22-14-12-10-8-6-2;2*1-5-7-9-17-23-32-42-35(39)28-21-15-11-13-19-26-34(44-37(41)30-25-31-38(3)4)27-20-14-12-16-22-29-36(40)43-33-24-18-10-8-6-2;1-5-7-9-21-30-40-33(37)26-19-15-11-13-17-24-32(42-35(39)28-23-29-36(3)4)25-18-14-12-16-20-27-34(38)41-31-22-10-8-6-2;1-5-7-19-28-38-31(35)24-17-13-9-11-15-22-30(40-33(37)26-21-27-34(3)4)23-16-12-10-14-18-25-32(36)39-29-20-8-6-2/h38H,5-37H2,1-4H3;15,17-18,20-22,24-28,32,38H,5-14,16,19,23,29-31,33-37H2,1-4H3;34H,5-33H2,1-4H3;17-18,23-24,34H,5-16,19-22,25-33H2,1-4H3;9-10,21-22,32H,5-8,11-20,23-31H2,1-4H3;7-8,19-20,30H,5-6,9-18,21-29H2,1-4H3/b;17-15-,24-18-,26-20-,27-21-,28-22-,32-25-;;23-17-,24-18-;21-9-,22-10-;19-7-,20-8-.
What are the key properties of bis[(Z)-hept-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-hex-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-non-2-enyl] (2Z,5Z,11Z,14Z)-9-[4-(dimethylamino)butanoyloxy]heptadeca-2,5,11,14-tetraenedioate;bis[(Z)-pent-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;diheptyl 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;dioctyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate?
bis[(Z)-hept-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-hex-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-non-2-enyl] (2Z,5Z,11Z,14Z)-9-[4-(dimethylamino)butanoyloxy]heptadeca-2,5,11,14-tetraenedioate;bis[(Z)-pent-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;diheptyl 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;dioctyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate has a molecular weight of 3759.72 g/mol, XLogP of 56.46, 188 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(Z)-hept-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-hex-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;bis[(Z)-non-2-enyl] (2Z,5Z,11Z,14Z)-9-[4-(dimethylamino)butanoyloxy]heptadeca-2,5,11,14-tetraenedioate;bis[(Z)-pent-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;diheptyl 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate;dioctyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate is sourced from PubChem (CID 161351590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).