bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[19-(cyclohexanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclohexanecarboxylate;[19-(cyclopentanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclopentanecarboxylate;dicyclohexyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[10-[4-(dimethylamino)butanoyloxy]-19-(2-ethylhexanoyloxy)nonadecyl] 2-ethylhexanoate;dinonan-5-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;dipentan-3-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate

C277H513N7O42 — CID 162154672

About bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[19-(cyclohexanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclohexanecarboxylate;[19-(cyclopentanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclopentanecarboxylate;dicyclohexyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[10-[4-(dimethylamino)butanoyloxy]-19-(2-ethylhexanoyloxy)nonadecyl] 2-ethylhexanoate;dinonan-5-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;dipentan-3-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate

bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[19-(cyclohexanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclohexanecarboxylate;[19-(cyclopentanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclopentanecarboxylate;dicyclohexyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[10-[4-(dimethylamino)butanoyloxy]-19-(2-ethylhexanoyloxy)nonadecyl] 2-ethylhexanoate;dinonan-5-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;dipentan-3-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate (PubChem CID 162154672) has the molecular formula C277H513N7O42 and a molecular weight of 4614.16 g/mol. Its IUPAC name is bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[19-(cyclohexanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclohexanecarboxylate;[19-(cyclopentanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclopentanecarboxylate;dicyclohexyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[10-[4-(dimethylamino)butanoyloxy]-19-(2-ethylhexanoyloxy)nonadecyl] 2-ethylhexanoate;dinonan-5-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;dipentan-3-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate.

Molecular Properties

• Compound Name: bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[19-(cyclohexanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclohexanecarboxylate;[19-(cyclopentanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclopentanecarboxylate;dicyclohexyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[10-[4-(dimethylamino)butanoyloxy]-19-(2-ethylhexanoyloxy)nonadecyl] 2-ethylhexanoate;dinonan-5-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;dipentan-3-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate
• PubChem CID: 162154672
• Molecular Formula: C277H513N7O42
• Molecular Weight: 4614.16 g/mol
• Exact Mass: 4610.82
• IUPAC Name: bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[19-(cyclohexanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclohexanecarboxylate;[19-(cyclopentanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclopentanecarboxylate;dicyclohexyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[10-[4-(dimethylamino)butanoyloxy]-19-(2-ethylhexanoyloxy)nonadecyl] 2-ethylhexanoate;dinonan-5-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;dipentan-3-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate
• SMILES: CCC(CC)OC(=O)CCCCCCCCC(CCCCCCCCC(=O)OC(CC)CC)OC(=O)CCCN(C)C.CCCCC(CC)C(=O)OCCCCCCCCCC(CCCCCCCCCOC(=O)C(CC)CCCC)OC(=O)CCCN(C)C.CCCCC(CCCC)OC(=O)CCCCCCCCC(CCCCCCCCC(=O)OC(CCCC)CCCC)OC(=O)CCCN(C)C.CN(C)CCCC(=O)OC(CCCCCCCCC(=O)OC1CCC2CCCCC2C1)CCCCCCCCC(=O)OC1CCC2CCCCC2C1.CN(C)CCCC(=O)OC(CCCCCCCCC(=O)OC1CCCCC1)CCCCCCCCC(=O)OC1CCCCC1.CN(C)CCCC(=O)OC(CCCCCCCCCOC(=O)C1CCCC1)CCCCCCCCCOC(=O)C1CCCC1.CN(C)CCCC(=O)OC(CCCCCCCCCOC(=O)C1CCCCC1)CCCCCCCCCOC(=O)C1CCCCC1
• InChI: InChI=1S/C45H79NO6.C43H83NO6.C41H79NO6.C39H71NO6.2C37H67NO6.C35H67NO6/c1-46(2)33-19-28-45(49)50-40(24-11-7-3-5-9-13-26-43(47)51-41-31-29-36-20-15-17-22-38(36)34-41)25-12-8-4-6-10-14-27-44(48)52-42-32-30-37-21-16-18-23-39(37)35-42;1-7-11-28-38(29-12-8-2)48-41(45)34-25-21-17-15-19-23-32-40(50-43(47)36-27-37-44(5)6)33-24-20-16-18-22-26-35-42(46)49-39(30-13-9-3)31-14-10-4;1-7-11-28-36(9-3)40(44)46-34-25-21-17-13-15-19-23-30-38(48-39(43)32-27-33-42(5)6)31-24-20-16-14-18-22-26-35-47-41(45)37(10-4)29-12-8-2;1-40(2)31-23-30-37(41)46-36(28-19-9-5-3-7-11-21-32-44-38(42)34-24-15-13-16-25-34)29-20-10-6-4-8-12-22-33-45-39(43)35-26-17-14-18-27-35;1-38(2)31-21-30-37(41)44-32(22-13-7-3-5-9-19-28-35(39)42-33-24-15-11-16-25-33)23-14-8-4-6-10-20-29-36(40)43-34-26-17-12-18-27-34;1-38(2)29-21-28-35(39)44-34(26-13-9-5-3-7-11-19-30-42-36(40)32-22-15-16-23-32)27-14-10-6-4-8-12-20-31-43-37(41)33-24-17-18-25-33;1-7-30(8-2)40-33(37)26-21-17-13-11-15-19-24-32(42-35(39)28-23-29-36(5)6)25-20-16-12-14-18-22-27-34(38)41-31(9-3)10-4/h36-42H,3-35H2,1-2H3;38-40H,7-37H2,1-6H3;36-38H,7-35H2,1-6H3;34-36H,3-33H2,1-2H3;2*32-34H,3-31H2,1-2H3;30-32H,7-29H2,1-6H3
• InChIKey: ZLRAMOCCBAUIFR-UHFFFAOYSA-N
• XLogP: 71.21
• TPSA: 574.98 Ų
• H-Bond Acceptors: 49
• Rotatable Bonds: 205
• Heavy Atoms: 326
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4614.16
LogP ≤ 5	71.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[19-(cyclohexanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclohexanecarboxylate;[19-(cyclopentanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclopentanecarboxylate;dicyclohexyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[10-[4-(dimethylamino)butanoyloxy]-19-(2-ethylhexanoyloxy)nonadecyl] 2-ethylhexanoate;dinonan-5-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;dipentan-3-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate?

The IUPAC name of bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[19-(cyclohexanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclohexanecarboxylate;[19-(cyclopentanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclopentanecarboxylate;dicyclohexyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[10-[4-(dimethylamino)butanoyloxy]-19-(2-ethylhexanoyloxy)nonadecyl] 2-ethylhexanoate;dinonan-5-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;dipentan-3-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate (CID 162154672) is bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[19-(cyclohexanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclohexanecarboxylate;[19-(cyclopentanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclopentanecarboxylate;dicyclohexyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[10-[4-(dimethylamino)butanoyloxy]-19-(2-ethylhexanoyloxy)nonadecyl] 2-ethylhexanoate;dinonan-5-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;dipentan-3-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate.

What is the SMILES notation for bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[19-(cyclohexanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclohexanecarboxylate;[19-(cyclopentanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclopentanecarboxylate;dicyclohexyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[10-[4-(dimethylamino)butanoyloxy]-19-(2-ethylhexanoyloxy)nonadecyl] 2-ethylhexanoate;dinonan-5-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;dipentan-3-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate?

The canonical SMILES for bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[19-(cyclohexanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclohexanecarboxylate;[19-(cyclopentanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclopentanecarboxylate;dicyclohexyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[10-[4-(dimethylamino)butanoyloxy]-19-(2-ethylhexanoyloxy)nonadecyl] 2-ethylhexanoate;dinonan-5-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;dipentan-3-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate is CCC(CC)OC(=O)CCCCCCCCC(CCCCCCCCC(=O)OC(CC)CC)OC(=O)CCCN(C)C.CCCCC(CC)C(=O)OCCCCCCCCCC(CCCCCCCCCOC(=O)C(CC)CCCC)OC(=O)CCCN(C)C.CCCCC(CCCC)OC(=O)CCCCCCCCC(CCCCCCCCC(=O)OC(CCCC)CCCC)OC(=O)CCCN(C)C.CN(C)CCCC(=O)OC(CCCCCCCCC(=O)OC1CCC2CCCCC2C1)CCCCCCCCC(=O)OC1CCC2CCCCC2C1.CN(C)CCCC(=O)OC(CCCCCCCCC(=O)OC1CCCCC1)CCCCCCCCC(=O)OC1CCCCC1.CN(C)CCCC(=O)OC(CCCCCCCCCOC(=O)C1CCCC1)CCCCCCCCCOC(=O)C1CCCC1.CN(C)CCCC(=O)OC(CCCCCCCCCOC(=O)C1CCCCC1)CCCCCCCCCOC(=O)C1CCCCC1.

What is the InChIKey of bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[19-(cyclohexanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclohexanecarboxylate;[19-(cyclopentanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclopentanecarboxylate;dicyclohexyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[10-[4-(dimethylamino)butanoyloxy]-19-(2-ethylhexanoyloxy)nonadecyl] 2-ethylhexanoate;dinonan-5-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;dipentan-3-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate?

The InChIKey is ZLRAMOCCBAUIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H79NO6.C43H83NO6.C41H79NO6.C39H71NO6.2C37H67NO6.C35H67NO6/c1-46(2)33-19-28-45(49)50-40(24-11-7-3-5-9-13-26-43(47)51-41-31-29-36-20-15-17-22-38(36)34-41)25-12-8-4-6-10-14-27-44(48)52-42-32-30-37-21-16-18-23-39(37)35-42;1-7-11-28-38(29-12-8-2)48-41(45)34-25-21-17-15-19-23-32-40(50-43(47)36-27-37-44(5)6)33-24-20-16-18-22-26-35-42(46)49-39(30-13-9-3)31-14-10-4;1-7-11-28-36(9-3)40(44)46-34-25-21-17-13-15-19-23-30-38(48-39(43)32-27-33-42(5)6)31-24-20-16-14-18-22-26-35-47-41(45)37(10-4)29-12-8-2;1-40(2)31-23-30-37(41)46-36(28-19-9-5-3-7-11-21-32-44-38(42)34-24-15-13-16-25-34)29-20-10-6-4-8-12-22-33-45-39(43)35-26-17-14-18-27-35;1-38(2)31-21-30-37(41)44-32(22-13-7-3-5-9-19-28-35(39)42-33-24-15-11-16-25-33)23-14-8-4-6-10-20-29-36(40)43-34-26-17-12-18-27-34;1-38(2)29-21-28-35(39)44-34(26-13-9-5-3-7-11-19-30-42-36(40)32-22-15-16-23-32)27-14-10-6-4-8-12-20-31-43-37(41)33-24-17-18-25-33;1-7-30(8-2)40-33(37)26-21-17-13-11-15-19-24-32(42-35(39)28-23-29-36(5)6)25-20-16-12-14-18-22-27-34(38)41-31(9-3)10-4/h36-42H,3-35H2,1-2H3;38-40H,7-37H2,1-6H3;36-38H,7-35H2,1-6H3;34-36H,3-33H2,1-2H3;2*32-34H,3-31H2,1-2H3;30-32H,7-29H2,1-6H3.

What are the key properties of bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[19-(cyclohexanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclohexanecarboxylate;[19-(cyclopentanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclopentanecarboxylate;dicyclohexyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[10-[4-(dimethylamino)butanoyloxy]-19-(2-ethylhexanoyloxy)nonadecyl] 2-ethylhexanoate;dinonan-5-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;dipentan-3-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate?

bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[19-(cyclohexanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclohexanecarboxylate;[19-(cyclopentanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclopentanecarboxylate;dicyclohexyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[10-[4-(dimethylamino)butanoyloxy]-19-(2-ethylhexanoyloxy)nonadecyl] 2-ethylhexanoate;dinonan-5-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;dipentan-3-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate has a molecular weight of 4614.16 g/mol, XLogP of 71.21, 205 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[19-(cyclohexanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclohexanecarboxylate;[19-(cyclopentanecarbonyloxy)-10-[4-(dimethylamino)butanoyloxy]nonadecyl] cyclopentanecarboxylate;dicyclohexyl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;[10-[4-(dimethylamino)butanoyloxy]-19-(2-ethylhexanoyloxy)nonadecyl] 2-ethylhexanoate;dinonan-5-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate;dipentan-3-yl 10-[4-(dimethylamino)butanoyloxy]nonadecanedioate is sourced from PubChem (CID 162154672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).