10-[3-[(dimethylamino)methyl]-5-(10-hexanoyloxydecoxy)phenoxy]decyl hexanoate;8-[3-[(dimethylamino)methyl]-5-(8-hexanoyloxyoctoxy)phenoxy]octyl hexanoate;2-[3-[(dimethylamino)methyl]-5-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethoxy]phenoxy]ethyl (9Z,12Z)-octadeca-9,12-dienoate;10-[3-[(dimethylamino)methyl]-5-(10-octanoyloxydecoxy)phenoxy]decyl octanoate;8-[3-[(dimethylamino)methyl]-5-(8-octanoyloxyoctoxy)phenoxy]octyl octanoate

C213H373N5O30 — CID 159359383

About 10-[3-[(dimethylamino)methyl]-5-(10-hexanoyloxydecoxy)phenoxy]decyl hexanoate;8-[3-[(dimethylamino)methyl]-5-(8-hexanoyloxyoctoxy)phenoxy]octyl hexanoate;2-[3-[(dimethylamino)methyl]-5-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethoxy]phenoxy]ethyl (9Z,12Z)-octadeca-9,12-dienoate;10-[3-[(dimethylamino)methyl]-5-(10-octanoyloxydecoxy)phenoxy]decyl octanoate;8-[3-[(dimethylamino)methyl]-5-(8-octanoyloxyoctoxy)phenoxy]octyl octanoate

10-[3-[(dimethylamino)methyl]-5-(10-hexanoyloxydecoxy)phenoxy]decyl hexanoate;8-[3-[(dimethylamino)methyl]-5-(8-hexanoyloxyoctoxy)phenoxy]octyl hexanoate;2-[3-[(dimethylamino)methyl]-5-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethoxy]phenoxy]ethyl (9Z,12Z)-octadeca-9,12-dienoate;10-[3-[(dimethylamino)methyl]-5-(10-octanoyloxydecoxy)phenoxy]decyl octanoate;8-[3-[(dimethylamino)methyl]-5-(8-octanoyloxyoctoxy)phenoxy]octyl octanoate (PubChem CID 159359383) has the molecular formula C213H373N5O30 and a molecular weight of 3484.33 g/mol. Its IUPAC name is 10-[3-[(dimethylamino)methyl]-5-(10-hexanoyloxydecoxy)phenoxy]decyl hexanoate;8-[3-[(dimethylamino)methyl]-5-(8-hexanoyloxyoctoxy)phenoxy]octyl hexanoate;2-[3-[(dimethylamino)methyl]-5-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethoxy]phenoxy]ethyl (9Z,12Z)-octadeca-9,12-dienoate;10-[3-[(dimethylamino)methyl]-5-(10-octanoyloxydecoxy)phenoxy]decyl octanoate;8-[3-[(dimethylamino)methyl]-5-(8-octanoyloxyoctoxy)phenoxy]octyl octanoate.

Molecular Properties

• Compound Name: 10-[3-[(dimethylamino)methyl]-5-(10-hexanoyloxydecoxy)phenoxy]decyl hexanoate;8-[3-[(dimethylamino)methyl]-5-(8-hexanoyloxyoctoxy)phenoxy]octyl hexanoate;2-[3-[(dimethylamino)methyl]-5-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethoxy]phenoxy]ethyl (9Z,12Z)-octadeca-9,12-dienoate;10-[3-[(dimethylamino)methyl]-5-(10-octanoyloxydecoxy)phenoxy]decyl octanoate;8-[3-[(dimethylamino)methyl]-5-(8-octanoyloxyoctoxy)phenoxy]octyl octanoate
• PubChem CID: 159359383
• Molecular Formula: C213H373N5O30
• Molecular Weight: 3484.33 g/mol
• Exact Mass: 3481.78
• IUPAC Name: 10-[3-[(dimethylamino)methyl]-5-(10-hexanoyloxydecoxy)phenoxy]decyl hexanoate;8-[3-[(dimethylamino)methyl]-5-(8-hexanoyloxyoctoxy)phenoxy]octyl hexanoate;2-[3-[(dimethylamino)methyl]-5-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethoxy]phenoxy]ethyl (9Z,12Z)-octadeca-9,12-dienoate;10-[3-[(dimethylamino)methyl]-5-(10-octanoyloxydecoxy)phenoxy]decyl octanoate;8-[3-[(dimethylamino)methyl]-5-(8-octanoyloxyoctoxy)phenoxy]octyl octanoate
• SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCOc1cc(CN(C)C)cc(OCCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)c1.CCCCCC(=O)OCCCCCCCCCCOc1cc(CN(C)C)cc(OCCCCCCCCCCOC(=O)CCCCC)c1.CCCCCC(=O)OCCCCCCCCOc1cc(CN(C)C)cc(OCCCCCCCCOC(=O)CCCCC)c1.CCCCCCCC(=O)OCCCCCCCCCCOc1cc(CN(C)C)cc(OCCCCCCCCCCOC(=O)CCCCCCC)c1.CCCCCCCC(=O)OCCCCCCCCOc1cc(CN(C)C)cc(OCCCCCCCCOC(=O)CCCCCCC)c1
• InChI: InChI=1S/C49H81NO6.C45H81NO6.2C41H73NO6.C37H65NO6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-48(51)55-39-37-53-46-41-45(44-50(3)4)42-47(43-46)54-38-40-56-49(52)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-7-9-19-25-31-44(47)51-35-29-23-17-13-11-15-21-27-33-49-42-37-41(40-46(3)4)38-43(39-42)50-34-28-22-16-12-14-18-24-30-36-52-45(48)32-26-20-10-8-6-2;1-5-7-21-27-40(43)47-31-25-19-15-11-9-13-17-23-29-45-38-33-37(36-42(3)4)34-39(35-38)46-30-24-18-14-10-12-16-20-26-32-48-41(44)28-22-8-6-2;1-5-7-9-15-21-27-40(43)47-31-25-19-13-11-17-23-29-45-38-33-37(36-42(3)4)34-39(35-38)46-30-24-18-12-14-20-26-32-48-41(44)28-22-16-10-8-6-2;1-5-7-17-23-36(39)43-27-21-15-11-9-13-19-25-41-34-29-33(32-38(3)4)30-35(31-34)42-26-20-14-10-12-16-22-28-44-37(40)24-18-8-6-2/h13-16,19-22,41-43H,5-12,17-18,23-40,44H2,1-4H3;37-39H,5-36,40H2,1-4H3;2*33-35H,5-32,36H2,1-4H3;29-31H,5-28,32H2,1-4H3/b15-13-,16-14-,21-19-,22-20-
• InChIKey: LIILCOGBZWFIAT-NCECAHCUSA-N
• XLogP: 57.20
• TPSA: 371.50 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 174
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3484.33
LogP ≤ 5	57.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

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'}

Frequently Asked Questions

What is the IUPAC name of 10-[3-[(dimethylamino)methyl]-5-(10-hexanoyloxydecoxy)phenoxy]decyl hexanoate;8-[3-[(dimethylamino)methyl]-5-(8-hexanoyloxyoctoxy)phenoxy]octyl hexanoate;2-[3-[(dimethylamino)methyl]-5-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethoxy]phenoxy]ethyl (9Z,12Z)-octadeca-9,12-dienoate;10-[3-[(dimethylamino)methyl]-5-(10-octanoyloxydecoxy)phenoxy]decyl octanoate;8-[3-[(dimethylamino)methyl]-5-(8-octanoyloxyoctoxy)phenoxy]octyl octanoate?

The IUPAC name of 10-[3-[(dimethylamino)methyl]-5-(10-hexanoyloxydecoxy)phenoxy]decyl hexanoate;8-[3-[(dimethylamino)methyl]-5-(8-hexanoyloxyoctoxy)phenoxy]octyl hexanoate;2-[3-[(dimethylamino)methyl]-5-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethoxy]phenoxy]ethyl (9Z,12Z)-octadeca-9,12-dienoate;10-[3-[(dimethylamino)methyl]-5-(10-octanoyloxydecoxy)phenoxy]decyl octanoate;8-[3-[(dimethylamino)methyl]-5-(8-octanoyloxyoctoxy)phenoxy]octyl octanoate (CID 159359383) is 10-[3-[(dimethylamino)methyl]-5-(10-hexanoyloxydecoxy)phenoxy]decyl hexanoate;8-[3-[(dimethylamino)methyl]-5-(8-hexanoyloxyoctoxy)phenoxy]octyl hexanoate;2-[3-[(dimethylamino)methyl]-5-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethoxy]phenoxy]ethyl (9Z,12Z)-octadeca-9,12-dienoate;10-[3-[(dimethylamino)methyl]-5-(10-octanoyloxydecoxy)phenoxy]decyl octanoate;8-[3-[(dimethylamino)methyl]-5-(8-octanoyloxyoctoxy)phenoxy]octyl octanoate.

What is the SMILES notation for 10-[3-[(dimethylamino)methyl]-5-(10-hexanoyloxydecoxy)phenoxy]decyl hexanoate;8-[3-[(dimethylamino)methyl]-5-(8-hexanoyloxyoctoxy)phenoxy]octyl hexanoate;2-[3-[(dimethylamino)methyl]-5-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethoxy]phenoxy]ethyl (9Z,12Z)-octadeca-9,12-dienoate;10-[3-[(dimethylamino)methyl]-5-(10-octanoyloxydecoxy)phenoxy]decyl octanoate;8-[3-[(dimethylamino)methyl]-5-(8-octanoyloxyoctoxy)phenoxy]octyl octanoate?

The canonical SMILES for 10-[3-[(dimethylamino)methyl]-5-(10-hexanoyloxydecoxy)phenoxy]decyl hexanoate;8-[3-[(dimethylamino)methyl]-5-(8-hexanoyloxyoctoxy)phenoxy]octyl hexanoate;2-[3-[(dimethylamino)methyl]-5-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethoxy]phenoxy]ethyl (9Z,12Z)-octadeca-9,12-dienoate;10-[3-[(dimethylamino)methyl]-5-(10-octanoyloxydecoxy)phenoxy]decyl octanoate;8-[3-[(dimethylamino)methyl]-5-(8-octanoyloxyoctoxy)phenoxy]octyl octanoate is CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCOc1cc(CN(C)C)cc(OCCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)c1.CCCCCC(=O)OCCCCCCCCCCOc1cc(CN(C)C)cc(OCCCCCCCCCCOC(=O)CCCCC)c1.CCCCCC(=O)OCCCCCCCCOc1cc(CN(C)C)cc(OCCCCCCCCOC(=O)CCCCC)c1.CCCCCCCC(=O)OCCCCCCCCCCOc1cc(CN(C)C)cc(OCCCCCCCCCCOC(=O)CCCCCCC)c1.CCCCCCCC(=O)OCCCCCCCCOc1cc(CN(C)C)cc(OCCCCCCCCOC(=O)CCCCCCC)c1.

What is the InChIKey of 10-[3-[(dimethylamino)methyl]-5-(10-hexanoyloxydecoxy)phenoxy]decyl hexanoate;8-[3-[(dimethylamino)methyl]-5-(8-hexanoyloxyoctoxy)phenoxy]octyl hexanoate;2-[3-[(dimethylamino)methyl]-5-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethoxy]phenoxy]ethyl (9Z,12Z)-octadeca-9,12-dienoate;10-[3-[(dimethylamino)methyl]-5-(10-octanoyloxydecoxy)phenoxy]decyl octanoate;8-[3-[(dimethylamino)methyl]-5-(8-octanoyloxyoctoxy)phenoxy]octyl octanoate?

The InChIKey is LIILCOGBZWFIAT-NCECAHCUSA-N. The full InChI is InChI=1S/C49H81NO6.C45H81NO6.2C41H73NO6.C37H65NO6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-48(51)55-39-37-53-46-41-45(44-50(3)4)42-47(43-46)54-38-40-56-49(52)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-7-9-19-25-31-44(47)51-35-29-23-17-13-11-15-21-27-33-49-42-37-41(40-46(3)4)38-43(39-42)50-34-28-22-16-12-14-18-24-30-36-52-45(48)32-26-20-10-8-6-2;1-5-7-21-27-40(43)47-31-25-19-15-11-9-13-17-23-29-45-38-33-37(36-42(3)4)34-39(35-38)46-30-24-18-14-10-12-16-20-26-32-48-41(44)28-22-8-6-2;1-5-7-9-15-21-27-40(43)47-31-25-19-13-11-17-23-29-45-38-33-37(36-42(3)4)34-39(35-38)46-30-24-18-12-14-20-26-32-48-41(44)28-22-16-10-8-6-2;1-5-7-17-23-36(39)43-27-21-15-11-9-13-19-25-41-34-29-33(32-38(3)4)30-35(31-34)42-26-20-14-10-12-16-22-28-44-37(40)24-18-8-6-2/h13-16,19-22,41-43H,5-12,17-18,23-40,44H2,1-4H3;37-39H,5-36,40H2,1-4H3;2*33-35H,5-32,36H2,1-4H3;29-31H,5-28,32H2,1-4H3/b15-13-,16-14-,21-19-,22-20-;;;;.

What are the key properties of 10-[3-[(dimethylamino)methyl]-5-(10-hexanoyloxydecoxy)phenoxy]decyl hexanoate;8-[3-[(dimethylamino)methyl]-5-(8-hexanoyloxyoctoxy)phenoxy]octyl hexanoate;2-[3-[(dimethylamino)methyl]-5-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethoxy]phenoxy]ethyl (9Z,12Z)-octadeca-9,12-dienoate;10-[3-[(dimethylamino)methyl]-5-(10-octanoyloxydecoxy)phenoxy]decyl octanoate;8-[3-[(dimethylamino)methyl]-5-(8-octanoyloxyoctoxy)phenoxy]octyl octanoate?

10-[3-[(dimethylamino)methyl]-5-(10-hexanoyloxydecoxy)phenoxy]decyl hexanoate;8-[3-[(dimethylamino)methyl]-5-(8-hexanoyloxyoctoxy)phenoxy]octyl hexanoate;2-[3-[(dimethylamino)methyl]-5-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethoxy]phenoxy]ethyl (9Z,12Z)-octadeca-9,12-dienoate;10-[3-[(dimethylamino)methyl]-5-(10-octanoyloxydecoxy)phenoxy]decyl octanoate;8-[3-[(dimethylamino)methyl]-5-(8-octanoyloxyoctoxy)phenoxy]octyl octanoate has a molecular weight of 3484.33 g/mol, XLogP of 57.20, 174 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-[(dimethylamino)methyl]-5-(10-hexanoyloxydecoxy)phenoxy]decyl hexanoate;8-[3-[(dimethylamino)methyl]-5-(8-hexanoyloxyoctoxy)phenoxy]octyl hexanoate;2-[3-[(dimethylamino)methyl]-5-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethoxy]phenoxy]ethyl (9Z,12Z)-octadeca-9,12-dienoate;10-[3-[(dimethylamino)methyl]-5-(10-octanoyloxydecoxy)phenoxy]decyl octanoate;8-[3-[(dimethylamino)methyl]-5-(8-octanoyloxyoctoxy)phenoxy]octyl octanoate is sourced from PubChem (CID 159359383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).