2-[tert-butyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]butyl] (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;[3,3-dimethyl-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate;[3,3-dimethyl-2-(tetradecanoyloxymethyl)butyl] tetradecanoate;[2-(dodecanoyloxymethyl)-3,3-dimethylbutyl] dodecanoate;8-hexyl-2,2-dimethyltetradecane

C261H481NO24 — CID 161360228

IUPAC2-[tert-butyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]butyl] (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;[3,3-dimethyl-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate;[3,3-dimethyl-2-(tetradecanoyloxymethyl)butyl] tetradecanoate;[2-(dodecanoyloxymethyl)-3,3-dimethylbutyl] dodecanoate;8-hexyl-2,2-dimethyltetradecane
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C(C)(C)C.CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(C)(C)C.CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(C)(C)C.CCCCCCC(CCCCCC)CCCCCC(C)(C)C.CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)C(C)(C)C.CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)C(C)(C)C.CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)C(C)(C)C
InChIInChI=1S/C44H79NO4.C43H80O4.C43H76O4.C43H72O4.C35H68O4.C31H60O4.C22H46/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-42(46)48-40-38-45(44(3,4)5)39-41-49-43(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;3*1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(44)46-38-40(43(3,4)5)39-47-42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-6-8-10-12-14-16-18-20-22-24-26-28-33(36)38-30-32(35(3,4)5)31-39-34(37)29-27-25-23-21-19-17-15-13-11-9-7-2;1-6-8-10-12-14-16-18-20-22-24-29(32)34-26-28(31(3,4)5)27-35-30(33)25-23-21-19-17-15-13-11-9-7-2;1-6-8-10-13-17-21(18-14-11-9-7-2)19-15-12-16-20-22(3,4)5/h14-17,20-23H,6-13,18-19,24-41H2,1-5H3;20-23,40H,6-19,24-39H2,1-5H3;14-17,20-23,40H,6-13,18-19,24-39H2,1-5H3;8-11,14-17,20-23,40H,6-7,12-13,18-19,24-39H2,1-5H3;32H,6-31H2,1-5H3;28H,6-27H2,1-5H3;21H,6-20H2,1-5H3/b16-14-,17-15-,22-20-,23-21-;22-20-,23-21-;16-14-,17-15-,22-20-,23-21-;10-8-,11-9-,16-14-,17-15-,22-20-,23-21-;;;
InChIKeyVPBNIGJTYHNDTO-HUIQASAWSA-N
MW4017.70 g/mol
LogP82.14
Rot. Bonds197

About 2-[tert-butyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]butyl] (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;[3,3-dimethyl-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate;[3,3-dimethyl-2-(tetradecanoyloxymethyl)butyl] tetradecanoate;[2-(dodecanoyloxymethyl)-3,3-dimethylbutyl] dodecanoate;8-hexyl-2,2-dimethyltetradecane

2-[tert-butyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]butyl] (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;[3,3-dimethyl-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate;[3,3-dimethyl-2-(tetradecanoyloxymethyl)butyl] tetradecanoate;[2-(dodecanoyloxymethyl)-3,3-dimethylbutyl] dodecanoate;8-hexyl-2,2-dimethyltetradecane (PubChem CID 161360228) has the molecular formula C261H481NO24 and a molecular weight of 4017.70 g/mol. Its IUPAC name is 2-[tert-butyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]butyl] (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;[3,3-dimethyl-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate;[3,3-dimethyl-2-(tetradecanoyloxymethyl)butyl] tetradecanoate;[2-(dodecanoyloxymethyl)-3,3-dimethylbutyl] dodecanoate;8-hexyl-2,2-dimethyltetradecane.

Molecular Properties

Compound Name2-[tert-butyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]butyl] (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;[3,3-dimethyl-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate;[3,3-dimethyl-2-(tetradecanoyloxymethyl)butyl] tetradecanoate;[2-(dodecanoyloxymethyl)-3,3-dimethylbutyl] dodecanoate;8-hexyl-2,2-dimethyltetradecane
PubChem CID161360228
Molecular FormulaC261H481NO24
Molecular Weight4017.70 g/mol
Exact Mass4014.64
IUPAC Name2-[tert-butyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]butyl] (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;[3,3-dimethyl-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate;[3,3-dimethyl-2-(tetradecanoyloxymethyl)butyl] tetradecanoate;[2-(dodecanoyloxymethyl)-3,3-dimethylbutyl] dodecanoate;8-hexyl-2,2-dimethyltetradecane
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C(C)(C)C.CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(C)(C)C.CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(C)(C)C.CCCCCCC(CCCCCC)CCCCCC(C)(C)C.CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)C(C)(C)C.CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)C(C)(C)C.CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)C(C)(C)C
InChIInChI=1S/C44H79NO4.C43H80O4.C43H76O4.C43H72O4.C35H68O4.C31H60O4.C22H46/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-42(46)48-40-38-45(44(3,4)5)39-41-49-43(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;3*1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(44)46-38-40(43(3,4)5)39-47-42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-6-8-10-12-14-16-18-20-22-24-26-28-33(36)38-30-32(35(3,4)5)31-39-34(37)29-27-25-23-21-19-17-15-13-11-9-7-2;1-6-8-10-12-14-16-18-20-22-24-29(32)34-26-28(31(3,4)5)27-35-30(33)25-23-21-19-17-15-13-11-9-7-2;1-6-8-10-13-17-21(18-14-11-9-7-2)19-15-12-16-20-22(3,4)5/h14-17,20-23H,6-13,18-19,24-41H2,1-5H3;20-23,40H,6-19,24-39H2,1-5H3;14-17,20-23,40H,6-13,18-19,24-39H2,1-5H3;8-11,14-17,20-23,40H,6-7,12-13,18-19,24-39H2,1-5H3;32H,6-31H2,1-5H3;28H,6-27H2,1-5H3;21H,6-20H2,1-5H3/b16-14-,17-15-,22-20-,23-21-;22-20-,23-21-;16-14-,17-15-,22-20-,23-21-;10-8-,11-9-,16-14-,17-15-,22-20-,23-21-;;;
InChIKeyVPBNIGJTYHNDTO-HUIQASAWSA-N
XLogP82.14
TPSA318.84 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds197
Heavy Atoms286
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004017.70
LogP ≤ 582.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

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 2-[tert-butyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]butyl] (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;[3,3-dimethyl-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate;[3,3-dimethyl-2-(tetradecanoyloxymethyl)butyl] tetradecanoate;[2-(dodecanoyloxymethyl)-3,3-dimethylbutyl] dodecanoate;8-hexyl-2,2-dimethyltetradecane with MolForge

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Related Compounds

3,3-dimethylbutyl 7-hexyltridecanoate;2,2-dimethyldecane;9,9-dimethyldecyl hexanoate;2,2-dimethyldodecane;11,11-dimethyldodecyl octanoate;8,8-dimethylnonyl octanoate;4,4-dimethylpentyl (9Z,12Z)-octadeca-9,12-dienoate;4,4-dimethylpentyl octanoate;9-(2,2-dimethylpropyl)heptadecane;2,2-dimethyltetradecane;bis(2,2-dimethyltridecane);2,2-dimethylundecane
CID 159390414
3,3-dimethylbutyl 7-hexyltridecanoate;2,2-dimethyldecane;9,9-dimethyldecyl hexanoate;2,2-dimethyldodecane;11,11-dimethyldodecan-1-ol;11,11-dimethyldodecyl octanoate;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;7,7-dimethyloctyl octanoate;4,4-dimethylpentyl (9Z,12Z)-octadeca-9,12-dienoate;9-(2,2-dimethylpropyl)heptadecane;2,2-dimethyltetradecane;2,2-dimethyltridecane;2,2-dimethylundecane
CID 158839805
3-pentyloctyl (20Z,23Z)-10-[3-(dimethylamino)propyl]nonacosa-20,23-dienoate
CID 151312855
6,6-dimethyl-1,1-dioctoxyheptane;2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;9-(2,2-dimethylpropyl)heptadecane;2,2-dimethylundecane
CID 160835487
9,9-dimethyldecyl decanoate;6,6-dimethylheptyl 4,4-dioctoxybutanoate;(6Z,9Z)-19,19-dimethylicosa-6,9-diene
CID 158773446
2-hydroxyoctyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CID 46831420
(2-ethyl-3,3-dimethylbutyl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 157454588
[(9Z,12Z,15Z)-octadeca-9,12,15-trienyl] octadecanoate
CID 56935960
decyl octadeca-9,12,15-trienoate
CID 54331899
[(9Z,12Z,15Z)-octadeca-9,12,15-trienyl] tetradecanoate
CID 56935933
[(9E,12E)-octadeca-9,12-dienyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CID 91750337
[(2R)-2-hydroxy-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropyl] icosanoate
CID 131801797

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]butyl] (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;[3,3-dimethyl-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate;[3,3-dimethyl-2-(tetradecanoyloxymethyl)butyl] tetradecanoate;[2-(dodecanoyloxymethyl)-3,3-dimethylbutyl] dodecanoate;8-hexyl-2,2-dimethyltetradecane?
The IUPAC name of 2-[tert-butyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]butyl] (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;[3,3-dimethyl-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate;[3,3-dimethyl-2-(tetradecanoyloxymethyl)butyl] tetradecanoate;[2-(dodecanoyloxymethyl)-3,3-dimethylbutyl] dodecanoate;8-hexyl-2,2-dimethyltetradecane (CID 161360228) is 2-[tert-butyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]butyl] (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;[3,3-dimethyl-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate;[3,3-dimethyl-2-(tetradecanoyloxymethyl)butyl] tetradecanoate;[2-(dodecanoyloxymethyl)-3,3-dimethylbutyl] dodecanoate;8-hexyl-2,2-dimethyltetradecane.
What is the SMILES notation for 2-[tert-butyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]butyl] (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;[3,3-dimethyl-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate;[3,3-dimethyl-2-(tetradecanoyloxymethyl)butyl] tetradecanoate;[2-(dodecanoyloxymethyl)-3,3-dimethylbutyl] dodecanoate;8-hexyl-2,2-dimethyltetradecane?
The canonical SMILES for 2-[tert-butyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]butyl] (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;[3,3-dimethyl-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate;[3,3-dimethyl-2-(tetradecanoyloxymethyl)butyl] tetradecanoate;[2-(dodecanoyloxymethyl)-3,3-dimethylbutyl] dodecanoate;8-hexyl-2,2-dimethyltetradecane is CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C(C)(C)C.CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(C)(C)C.CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(C)(C)C.CCCCCCC(CCCCCC)CCCCCC(C)(C)C.CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)C(C)(C)C.CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)C(C)(C)C.CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]butyl] (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;[3,3-dimethyl-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate;[3,3-dimethyl-2-(tetradecanoyloxymethyl)butyl] tetradecanoate;[2-(dodecanoyloxymethyl)-3,3-dimethylbutyl] dodecanoate;8-hexyl-2,2-dimethyltetradecane?
The InChIKey is VPBNIGJTYHNDTO-HUIQASAWSA-N. The full InChI is InChI=1S/C44H79NO4.C43H80O4.C43H76O4.C43H72O4.C35H68O4.C31H60O4.C22H46/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-42(46)48-40-38-45(44(3,4)5)39-41-49-43(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;3*1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(44)46-38-40(43(3,4)5)39-47-42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-6-8-10-12-14-16-18-20-22-24-26-28-33(36)38-30-32(35(3,4)5)31-39-34(37)29-27-25-23-21-19-17-15-13-11-9-7-2;1-6-8-10-12-14-16-18-20-22-24-29(32)34-26-28(31(3,4)5)27-35-30(33)25-23-21-19-17-15-13-11-9-7-2;1-6-8-10-13-17-21(18-14-11-9-7-2)19-15-12-16-20-22(3,4)5/h14-17,20-23H,6-13,18-19,24-41H2,1-5H3;20-23,40H,6-19,24-39H2,1-5H3;14-17,20-23,40H,6-13,18-19,24-39H2,1-5H3;8-11,14-17,20-23,40H,6-7,12-13,18-19,24-39H2,1-5H3;32H,6-31H2,1-5H3;28H,6-27H2,1-5H3;21H,6-20H2,1-5H3/b16-14-,17-15-,22-20-,23-21-;22-20-,23-21-;16-14-,17-15-,22-20-,23-21-;10-8-,11-9-,16-14-,17-15-,22-20-,23-21-;;;.
What are the key properties of 2-[tert-butyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]butyl] (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;[3,3-dimethyl-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate;[3,3-dimethyl-2-(tetradecanoyloxymethyl)butyl] tetradecanoate;[2-(dodecanoyloxymethyl)-3,3-dimethylbutyl] dodecanoate;8-hexyl-2,2-dimethyltetradecane?
2-[tert-butyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]butyl] (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;[3,3-dimethyl-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate;[3,3-dimethyl-2-(tetradecanoyloxymethyl)butyl] tetradecanoate;[2-(dodecanoyloxymethyl)-3,3-dimethylbutyl] dodecanoate;8-hexyl-2,2-dimethyltetradecane has a molecular weight of 4017.70 g/mol, XLogP of 82.14, 197 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]butyl] (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;[3,3-dimethyl-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate;[3,3-dimethyl-2-(tetradecanoyloxymethyl)butyl] tetradecanoate;[2-(dodecanoyloxymethyl)-3,3-dimethylbutyl] dodecanoate;8-hexyl-2,2-dimethyltetradecane is sourced from PubChem (CID 161360228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).