2,2-diethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]hexane-1-sulfonamide;[5,5-diethyl-9-(5-ethyl-5-phosphonooxyheptoxy)nonyl] dihydrogen phosphate;[5,5-diethyl-9-[5-ethyl-5-(phosphonooxymethyl)heptoxy]nonyl] dihydrogen phosphate;6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-7-hydroxyheptoxy)-3-ethylheptane-3-sulfonamide;6-(5,5-diethyl-8-hydroxyoctoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-8-hydroxyoctoxy)-3-ethylheptane-3-sulfonamide;[9-(5,5-diethyl-7-phosphonooxyheptoxy)-5,5-diethylnonyl] dihydrogen phosphate;[9-(5,5-diethyl-9-phosphonooxynonoxy)-5,5-diethylnonyl] dihydrogen phosphate;[8-(5,5-diethyl-9-phosphonooxynonoxy)-4,4-diethyloctyl] dihydrogen phosphate;3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-3-sulfonamide

C243H524N6O69P10S6 — CID 158274003

IUPAC2,2-diethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]hexane-1-sulfonamide;[5,5-diethyl-9-(5-ethyl-5-phosphonooxyheptoxy)nonyl] dihydrogen phosphate;[5,5-diethyl-9-[5-ethyl-5-(phosphonooxymethyl)heptoxy]nonyl] dihydrogen phosphate;6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-7-hydroxyheptoxy)-3-ethylheptane-3-sulfonamide;6-(5,5-diethyl-8-hydroxyoctoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-8-hydroxyoctoxy)-3-ethylheptane-3-sulfonamide;[9-(5,5-diethyl-7-phosphonooxyheptoxy)-5,5-diethylnonyl] dihydrogen phosphate;[9-(5,5-diethyl-9-phosphonooxynonoxy)-5,5-diethylnonyl] dihydrogen phosphate;[8-(5,5-diethyl-9-phosphonooxynonoxy)-4,4-diethyloctyl] dihydrogen phosphate;3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-3-sulfonamide
SMILESCCC(CC)(CCCCOCCCCC(CC)(CC)CCCCOP(=O)(O)O)CCCCOP(=O)(O)O.CCC(CC)(CCCCOCCCCC(CC)(CC)CCCOP(=O)(O)O)CCCCOP(=O)(O)O.CCC(CC)(CCCCOCCCCC(CC)(CC)CCOP(=O)(O)O)CCCCOP(=O)(O)O.CCC(CC)(CCCCOCCCCC(CC)(CC)COP(=O)(O)O)CCCCOP(=O)(O)O.CCC(CC)(CCCCOCCCCC(CC)(CC)OP(=O)(O)O)CCCCOP(=O)(O)O.CCC(CC)(CCCO)CCCCOCCCCC(CC)(CC)CS(N)(=O)=O.CCC(CC)(CCCO)CCCCOCCCCC(CC)(CC)S(N)(=O)=O.CCC(CC)(CCO)CCCCOCCCCC(CC)(CC)CS(N)(=O)=O.CCC(CC)(CCO)CCCCOCCCCC(CC)(CC)S(N)(=O)=O.CCC(CC)(CO)CCCCOCCCCC(CC)(CC)CS(N)(=O)=O.CCC(CC)(CO)CCCCOCCCCC(CC)(CC)S(N)(=O)=O
InChIInChI=1S/C26H56O9P2.C25H54O9P2.C24H52O9P2.C23H50O9P2.C22H47NO4S.C22H48O9P2.2C21H45NO4S.2C20H43NO4S.C19H41NO4S/c1-5-25(6-2,19-11-15-23-34-36(27,28)29)17-9-13-21-33-22-14-10-18-26(7-3,8-4)20-12-16-24-35-37(30,31)32;1-5-24(6-2,18-11-14-22-33-35(26,27)28)16-9-12-20-32-21-13-10-17-25(7-3,8-4)19-15-23-34-36(29,30)31;1-5-23(6-2,16-11-14-21-32-34(25,26)27)15-9-12-19-31-20-13-10-17-24(7-3,8-4)18-22-33-35(28,29)30;1-5-22(6-2,16-11-14-20-31-33(24,25)26)15-9-12-18-30-19-13-10-17-23(7-3,8-4)21-32-34(27,28)29;1-5-21(6-2,16-13-17-24)14-9-11-18-27-19-12-10-15-22(7-3,8-4)20-28(23,25)26;1-5-21(6-2,16-10-14-20-30-32(23,24)25)15-9-12-18-29-19-13-11-17-22(7-3,8-4)31-33(26,27)28;1-5-20(6-2,15-13-17-23)14-9-11-18-26-19-12-10-16-21(7-3,8-4)27(22,24)25;1-5-20(6-2,15-16-23)13-9-11-17-26-18-12-10-14-21(7-3,8-4)19-27(22,24)25;1-5-19(6-2,15-16-22)13-9-11-17-25-18-12-10-14-20(7-3,8-4)26(21,23)24;1-5-19(6-2,17-22)13-9-11-15-25-16-12-10-14-20(7-3,8-4)18-26(21,23)24;1-5-18(6-2,17-21)13-9-11-15-24-16-12-10-14-19(7-3,8-4)25(20,22)23/h5-24H2,1-4H3,(H2,27,28,29)(H2,30,31,32);5-23H2,1-4H3,(H2,26,27,28)(H2,29,30,31);5-22H2,1-4H3,(H2,25,26,27)(H2,28,29,30);5-21H2,1-4H3,(H2,24,25,26)(H2,27,28,29);24H,5-20H2,1-4H3,(H2,23,25,26);5-20H2,1-4H3,(H2,23,24,25)(H2,26,27,28);2*23H,5-19H2,1-4H3,(H2,22,24,25);2*22H,5-18H2,1-4H3,(H2,21,23,24);21H,5-17H2,1-4H3,(H2,20,22,23)
InChIKeyGJJQOXGYKRYUAR-UHFFFAOYSA-N
MW5136.98 g/mol
LogP60.84
Rot. Bonds225

About 2,2-diethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]hexane-1-sulfonamide;[5,5-diethyl-9-(5-ethyl-5-phosphonooxyheptoxy)nonyl] dihydrogen phosphate;[5,5-diethyl-9-[5-ethyl-5-(phosphonooxymethyl)heptoxy]nonyl] dihydrogen phosphate;6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-7-hydroxyheptoxy)-3-ethylheptane-3-sulfonamide;6-(5,5-diethyl-8-hydroxyoctoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-8-hydroxyoctoxy)-3-ethylheptane-3-sulfonamide;[9-(5,5-diethyl-7-phosphonooxyheptoxy)-5,5-diethylnonyl] dihydrogen phosphate;[9-(5,5-diethyl-9-phosphonooxynonoxy)-5,5-diethylnonyl] dihydrogen phosphate;[8-(5,5-diethyl-9-phosphonooxynonoxy)-4,4-diethyloctyl] dihydrogen phosphate;3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-3-sulfonamide

2,2-diethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]hexane-1-sulfonamide;[5,5-diethyl-9-(5-ethyl-5-phosphonooxyheptoxy)nonyl] dihydrogen phosphate;[5,5-diethyl-9-[5-ethyl-5-(phosphonooxymethyl)heptoxy]nonyl] dihydrogen phosphate;6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-7-hydroxyheptoxy)-3-ethylheptane-3-sulfonamide;6-(5,5-diethyl-8-hydroxyoctoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-8-hydroxyoctoxy)-3-ethylheptane-3-sulfonamide;[9-(5,5-diethyl-7-phosphonooxyheptoxy)-5,5-diethylnonyl] dihydrogen phosphate;[9-(5,5-diethyl-9-phosphonooxynonoxy)-5,5-diethylnonyl] dihydrogen phosphate;[8-(5,5-diethyl-9-phosphonooxynonoxy)-4,4-diethyloctyl] dihydrogen phosphate;3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-3-sulfonamide (PubChem CID 158274003) has the molecular formula C243H524N6O69P10S6 and a molecular weight of 5136.98 g/mol. Its IUPAC name is 2,2-diethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]hexane-1-sulfonamide;[5,5-diethyl-9-(5-ethyl-5-phosphonooxyheptoxy)nonyl] dihydrogen phosphate;[5,5-diethyl-9-[5-ethyl-5-(phosphonooxymethyl)heptoxy]nonyl] dihydrogen phosphate;6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-7-hydroxyheptoxy)-3-ethylheptane-3-sulfonamide;6-(5,5-diethyl-8-hydroxyoctoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-8-hydroxyoctoxy)-3-ethylheptane-3-sulfonamide;[9-(5,5-diethyl-7-phosphonooxyheptoxy)-5,5-diethylnonyl] dihydrogen phosphate;[9-(5,5-diethyl-9-phosphonooxynonoxy)-5,5-diethylnonyl] dihydrogen phosphate;[8-(5,5-diethyl-9-phosphonooxynonoxy)-4,4-diethyloctyl] dihydrogen phosphate;3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-3-sulfonamide.

Molecular Properties

Compound Name2,2-diethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]hexane-1-sulfonamide;[5,5-diethyl-9-(5-ethyl-5-phosphonooxyheptoxy)nonyl] dihydrogen phosphate;[5,5-diethyl-9-[5-ethyl-5-(phosphonooxymethyl)heptoxy]nonyl] dihydrogen phosphate;6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-7-hydroxyheptoxy)-3-ethylheptane-3-sulfonamide;6-(5,5-diethyl-8-hydroxyoctoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-8-hydroxyoctoxy)-3-ethylheptane-3-sulfonamide;[9-(5,5-diethyl-7-phosphonooxyheptoxy)-5,5-diethylnonyl] dihydrogen phosphate;[9-(5,5-diethyl-9-phosphonooxynonoxy)-5,5-diethylnonyl] dihydrogen phosphate;[8-(5,5-diethyl-9-phosphonooxynonoxy)-4,4-diethyloctyl] dihydrogen phosphate;3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-3-sulfonamide
PubChem CID158274003
Molecular FormulaC243H524N6O69P10S6
Molecular Weight5136.98 g/mol
Exact Mass5133.34
IUPAC Name2,2-diethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]hexane-1-sulfonamide;[5,5-diethyl-9-(5-ethyl-5-phosphonooxyheptoxy)nonyl] dihydrogen phosphate;[5,5-diethyl-9-[5-ethyl-5-(phosphonooxymethyl)heptoxy]nonyl] dihydrogen phosphate;6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-7-hydroxyheptoxy)-3-ethylheptane-3-sulfonamide;6-(5,5-diethyl-8-hydroxyoctoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-8-hydroxyoctoxy)-3-ethylheptane-3-sulfonamide;[9-(5,5-diethyl-7-phosphonooxyheptoxy)-5,5-diethylnonyl] dihydrogen phosphate;[9-(5,5-diethyl-9-phosphonooxynonoxy)-5,5-diethylnonyl] dihydrogen phosphate;[8-(5,5-diethyl-9-phosphonooxynonoxy)-4,4-diethyloctyl] dihydrogen phosphate;3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-3-sulfonamide
SMILESCCC(CC)(CCCCOCCCCC(CC)(CC)CCCCOP(=O)(O)O)CCCCOP(=O)(O)O.CCC(CC)(CCCCOCCCCC(CC)(CC)CCCOP(=O)(O)O)CCCCOP(=O)(O)O.CCC(CC)(CCCCOCCCCC(CC)(CC)CCOP(=O)(O)O)CCCCOP(=O)(O)O.CCC(CC)(CCCCOCCCCC(CC)(CC)COP(=O)(O)O)CCCCOP(=O)(O)O.CCC(CC)(CCCCOCCCCC(CC)(CC)OP(=O)(O)O)CCCCOP(=O)(O)O.CCC(CC)(CCCO)CCCCOCCCCC(CC)(CC)CS(N)(=O)=O.CCC(CC)(CCCO)CCCCOCCCCC(CC)(CC)S(N)(=O)=O.CCC(CC)(CCO)CCCCOCCCCC(CC)(CC)CS(N)(=O)=O.CCC(CC)(CCO)CCCCOCCCCC(CC)(CC)S(N)(=O)=O.CCC(CC)(CO)CCCCOCCCCC(CC)(CC)CS(N)(=O)=O.CCC(CC)(CO)CCCCOCCCCC(CC)(CC)S(N)(=O)=O
InChIInChI=1S/C26H56O9P2.C25H54O9P2.C24H52O9P2.C23H50O9P2.C22H47NO4S.C22H48O9P2.2C21H45NO4S.2C20H43NO4S.C19H41NO4S/c1-5-25(6-2,19-11-15-23-34-36(27,28)29)17-9-13-21-33-22-14-10-18-26(7-3,8-4)20-12-16-24-35-37(30,31)32;1-5-24(6-2,18-11-14-22-33-35(26,27)28)16-9-12-20-32-21-13-10-17-25(7-3,8-4)19-15-23-34-36(29,30)31;1-5-23(6-2,16-11-14-21-32-34(25,26)27)15-9-12-19-31-20-13-10-17-24(7-3,8-4)18-22-33-35(28,29)30;1-5-22(6-2,16-11-14-20-31-33(24,25)26)15-9-12-18-30-19-13-10-17-23(7-3,8-4)21-32-34(27,28)29;1-5-21(6-2,16-13-17-24)14-9-11-18-27-19-12-10-15-22(7-3,8-4)20-28(23,25)26;1-5-21(6-2,16-10-14-20-30-32(23,24)25)15-9-12-18-29-19-13-11-17-22(7-3,8-4)31-33(26,27)28;1-5-20(6-2,15-13-17-23)14-9-11-18-26-19-12-10-16-21(7-3,8-4)27(22,24)25;1-5-20(6-2,15-16-23)13-9-11-17-26-18-12-10-14-21(7-3,8-4)19-27(22,24)25;1-5-19(6-2,15-16-22)13-9-11-17-25-18-12-10-14-20(7-3,8-4)26(21,23)24;1-5-19(6-2,17-22)13-9-11-15-25-16-12-10-14-20(7-3,8-4)18-26(21,23)24;1-5-18(6-2,17-21)13-9-11-15-24-16-12-10-14-19(7-3,8-4)25(20,22)23/h5-24H2,1-4H3,(H2,27,28,29)(H2,30,31,32);5-23H2,1-4H3,(H2,26,27,28)(H2,29,30,31);5-22H2,1-4H3,(H2,25,26,27)(H2,28,29,30);5-21H2,1-4H3,(H2,24,25,26)(H2,27,28,29);24H,5-20H2,1-4H3,(H2,23,25,26);5-20H2,1-4H3,(H2,23,24,25)(H2,26,27,28);2*23H,5-19H2,1-4H3,(H2,22,24,25);2*22H,5-18H2,1-4H3,(H2,21,23,24);21H,5-17H2,1-4H3,(H2,20,22,23)
InChIKeyGJJQOXGYKRYUAR-UHFFFAOYSA-N
XLogP60.84
TPSA1251.47 Ų
H-Bond Donors32
H-Bond Acceptors49
Rotatable Bonds225
Heavy Atoms334
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005136.98
LogP ≤ 560.84
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1049

Analyze 2,2-diethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]hexane-1-sulfonamide;[5,5-diethyl-9-(5-ethyl-5-phosphonooxyheptoxy)nonyl] dihydrogen phosphate;[5,5-diethyl-9-[5-ethyl-5-(phosphonooxymethyl)heptoxy]nonyl] dihydrogen phosphate;6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-7-hydroxyheptoxy)-3-ethylheptane-3-sulfonamide;6-(5,5-diethyl-8-hydroxyoctoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-8-hydroxyoctoxy)-3-ethylheptane-3-sulfonamide;[9-(5,5-diethyl-7-phosphonooxyheptoxy)-5,5-diethylnonyl] dihydrogen phosphate;[9-(5,5-diethyl-9-phosphonooxynonoxy)-5,5-diethylnonyl] dihydrogen phosphate;[8-(5,5-diethyl-9-phosphonooxynonoxy)-4,4-diethyloctyl] dihydrogen phosphate;3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-3-sulfonamide with MolForge

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Related Compounds

[8-(5,5-diethyl-7-phosphonooxyheptoxy)-4,4-diethyloctyl] dihydrogen phosphate
CID 22085323
[7-(5,5-diethyl-9-hydroxynonoxy)-3-ethylheptan-3-yl]oxy-methylphosphinic acid
CID 20805256
[7-(3,5-diethyl-9-hydroxynonoxy)-3,3-diethylheptyl] dihydrogen phosphate
CID 87842248
8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide
CID 23390845
[9-(5,5-diethyloctoxy)-5,5-diethylnonyl] dihydrogen phosphate;[8-(5,5-diethyloctoxy)-4,4-diethyloctyl] dihydrogen phosphate
CID 90799141
3,3-diethyl-7-[5-ethyl-5-(phosphonooxymethyl)heptoxy]heptanoic acid
CID 22606858
7-(5,5-diethyl-7-phosphonooxyheptoxy)-3,3-diethylheptanoic acid
CID 22606631
[7-(8-hydroxy-5,5-dimethyloctoxy)-3,3-dimethylheptyl] dihydrogen phosphate
CID 23390840
[2,4-diethyl-6-(5-ethyl-5-phosphonooxyheptoxy)hexyl] dihydrogen phosphate
CID 87842908
2,2-bis(hydroxymethyl)butyl dihydrogen phosphate
CID 18755950
2,2-bis(hydroxymethyl)nonyl dihydrogen phosphate
CID 87965684
2,2-bis(hydroxymethyl)decyl dihydrogen phosphate
CID 87965547

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]hexane-1-sulfonamide;[5,5-diethyl-9-(5-ethyl-5-phosphonooxyheptoxy)nonyl] dihydrogen phosphate;[5,5-diethyl-9-[5-ethyl-5-(phosphonooxymethyl)heptoxy]nonyl] dihydrogen phosphate;6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-7-hydroxyheptoxy)-3-ethylheptane-3-sulfonamide;6-(5,5-diethyl-8-hydroxyoctoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-8-hydroxyoctoxy)-3-ethylheptane-3-sulfonamide;[9-(5,5-diethyl-7-phosphonooxyheptoxy)-5,5-diethylnonyl] dihydrogen phosphate;[9-(5,5-diethyl-9-phosphonooxynonoxy)-5,5-diethylnonyl] dihydrogen phosphate;[8-(5,5-diethyl-9-phosphonooxynonoxy)-4,4-diethyloctyl] dihydrogen phosphate;3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-3-sulfonamide?
The IUPAC name of 2,2-diethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]hexane-1-sulfonamide;[5,5-diethyl-9-(5-ethyl-5-phosphonooxyheptoxy)nonyl] dihydrogen phosphate;[5,5-diethyl-9-[5-ethyl-5-(phosphonooxymethyl)heptoxy]nonyl] dihydrogen phosphate;6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-7-hydroxyheptoxy)-3-ethylheptane-3-sulfonamide;6-(5,5-diethyl-8-hydroxyoctoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-8-hydroxyoctoxy)-3-ethylheptane-3-sulfonamide;[9-(5,5-diethyl-7-phosphonooxyheptoxy)-5,5-diethylnonyl] dihydrogen phosphate;[9-(5,5-diethyl-9-phosphonooxynonoxy)-5,5-diethylnonyl] dihydrogen phosphate;[8-(5,5-diethyl-9-phosphonooxynonoxy)-4,4-diethyloctyl] dihydrogen phosphate;3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-3-sulfonamide (CID 158274003) is 2,2-diethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]hexane-1-sulfonamide;[5,5-diethyl-9-(5-ethyl-5-phosphonooxyheptoxy)nonyl] dihydrogen phosphate;[5,5-diethyl-9-[5-ethyl-5-(phosphonooxymethyl)heptoxy]nonyl] dihydrogen phosphate;6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-7-hydroxyheptoxy)-3-ethylheptane-3-sulfonamide;6-(5,5-diethyl-8-hydroxyoctoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-8-hydroxyoctoxy)-3-ethylheptane-3-sulfonamide;[9-(5,5-diethyl-7-phosphonooxyheptoxy)-5,5-diethylnonyl] dihydrogen phosphate;[9-(5,5-diethyl-9-phosphonooxynonoxy)-5,5-diethylnonyl] dihydrogen phosphate;[8-(5,5-diethyl-9-phosphonooxynonoxy)-4,4-diethyloctyl] dihydrogen phosphate;3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-3-sulfonamide.
What is the SMILES notation for 2,2-diethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]hexane-1-sulfonamide;[5,5-diethyl-9-(5-ethyl-5-phosphonooxyheptoxy)nonyl] dihydrogen phosphate;[5,5-diethyl-9-[5-ethyl-5-(phosphonooxymethyl)heptoxy]nonyl] dihydrogen phosphate;6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-7-hydroxyheptoxy)-3-ethylheptane-3-sulfonamide;6-(5,5-diethyl-8-hydroxyoctoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-8-hydroxyoctoxy)-3-ethylheptane-3-sulfonamide;[9-(5,5-diethyl-7-phosphonooxyheptoxy)-5,5-diethylnonyl] dihydrogen phosphate;[9-(5,5-diethyl-9-phosphonooxynonoxy)-5,5-diethylnonyl] dihydrogen phosphate;[8-(5,5-diethyl-9-phosphonooxynonoxy)-4,4-diethyloctyl] dihydrogen phosphate;3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-3-sulfonamide?
The canonical SMILES for 2,2-diethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]hexane-1-sulfonamide;[5,5-diethyl-9-(5-ethyl-5-phosphonooxyheptoxy)nonyl] dihydrogen phosphate;[5,5-diethyl-9-[5-ethyl-5-(phosphonooxymethyl)heptoxy]nonyl] dihydrogen phosphate;6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-7-hydroxyheptoxy)-3-ethylheptane-3-sulfonamide;6-(5,5-diethyl-8-hydroxyoctoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-8-hydroxyoctoxy)-3-ethylheptane-3-sulfonamide;[9-(5,5-diethyl-7-phosphonooxyheptoxy)-5,5-diethylnonyl] dihydrogen phosphate;[9-(5,5-diethyl-9-phosphonooxynonoxy)-5,5-diethylnonyl] dihydrogen phosphate;[8-(5,5-diethyl-9-phosphonooxynonoxy)-4,4-diethyloctyl] dihydrogen phosphate;3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-3-sulfonamide is CCC(CC)(CCCCOCCCCC(CC)(CC)CCCCOP(=O)(O)O)CCCCOP(=O)(O)O.CCC(CC)(CCCCOCCCCC(CC)(CC)CCCOP(=O)(O)O)CCCCOP(=O)(O)O.CCC(CC)(CCCCOCCCCC(CC)(CC)CCOP(=O)(O)O)CCCCOP(=O)(O)O.CCC(CC)(CCCCOCCCCC(CC)(CC)COP(=O)(O)O)CCCCOP(=O)(O)O.CCC(CC)(CCCCOCCCCC(CC)(CC)OP(=O)(O)O)CCCCOP(=O)(O)O.CCC(CC)(CCCO)CCCCOCCCCC(CC)(CC)CS(N)(=O)=O.CCC(CC)(CCCO)CCCCOCCCCC(CC)(CC)S(N)(=O)=O.CCC(CC)(CCO)CCCCOCCCCC(CC)(CC)CS(N)(=O)=O.CCC(CC)(CCO)CCCCOCCCCC(CC)(CC)S(N)(=O)=O.CCC(CC)(CO)CCCCOCCCCC(CC)(CC)CS(N)(=O)=O.CCC(CC)(CO)CCCCOCCCCC(CC)(CC)S(N)(=O)=O.
What is the InChIKey of 2,2-diethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]hexane-1-sulfonamide;[5,5-diethyl-9-(5-ethyl-5-phosphonooxyheptoxy)nonyl] dihydrogen phosphate;[5,5-diethyl-9-[5-ethyl-5-(phosphonooxymethyl)heptoxy]nonyl] dihydrogen phosphate;6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-7-hydroxyheptoxy)-3-ethylheptane-3-sulfonamide;6-(5,5-diethyl-8-hydroxyoctoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-8-hydroxyoctoxy)-3-ethylheptane-3-sulfonamide;[9-(5,5-diethyl-7-phosphonooxyheptoxy)-5,5-diethylnonyl] dihydrogen phosphate;[9-(5,5-diethyl-9-phosphonooxynonoxy)-5,5-diethylnonyl] dihydrogen phosphate;[8-(5,5-diethyl-9-phosphonooxynonoxy)-4,4-diethyloctyl] dihydrogen phosphate;3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-3-sulfonamide?
The InChIKey is GJJQOXGYKRYUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O9P2.C25H54O9P2.C24H52O9P2.C23H50O9P2.C22H47NO4S.C22H48O9P2.2C21H45NO4S.2C20H43NO4S.C19H41NO4S/c1-5-25(6-2,19-11-15-23-34-36(27,28)29)17-9-13-21-33-22-14-10-18-26(7-3,8-4)20-12-16-24-35-37(30,31)32;1-5-24(6-2,18-11-14-22-33-35(26,27)28)16-9-12-20-32-21-13-10-17-25(7-3,8-4)19-15-23-34-36(29,30)31;1-5-23(6-2,16-11-14-21-32-34(25,26)27)15-9-12-19-31-20-13-10-17-24(7-3,8-4)18-22-33-35(28,29)30;1-5-22(6-2,16-11-14-20-31-33(24,25)26)15-9-12-18-30-19-13-10-17-23(7-3,8-4)21-32-34(27,28)29;1-5-21(6-2,16-13-17-24)14-9-11-18-27-19-12-10-15-22(7-3,8-4)20-28(23,25)26;1-5-21(6-2,16-10-14-20-30-32(23,24)25)15-9-12-18-29-19-13-11-17-22(7-3,8-4)31-33(26,27)28;1-5-20(6-2,15-13-17-23)14-9-11-18-26-19-12-10-16-21(7-3,8-4)27(22,24)25;1-5-20(6-2,15-16-23)13-9-11-17-26-18-12-10-14-21(7-3,8-4)19-27(22,24)25;1-5-19(6-2,15-16-22)13-9-11-17-25-18-12-10-14-20(7-3,8-4)26(21,23)24;1-5-19(6-2,17-22)13-9-11-15-25-16-12-10-14-20(7-3,8-4)18-26(21,23)24;1-5-18(6-2,17-21)13-9-11-15-24-16-12-10-14-19(7-3,8-4)25(20,22)23/h5-24H2,1-4H3,(H2,27,28,29)(H2,30,31,32);5-23H2,1-4H3,(H2,26,27,28)(H2,29,30,31);5-22H2,1-4H3,(H2,25,26,27)(H2,28,29,30);5-21H2,1-4H3,(H2,24,25,26)(H2,27,28,29);24H,5-20H2,1-4H3,(H2,23,25,26);5-20H2,1-4H3,(H2,23,24,25)(H2,26,27,28);2*23H,5-19H2,1-4H3,(H2,22,24,25);2*22H,5-18H2,1-4H3,(H2,21,23,24);21H,5-17H2,1-4H3,(H2,20,22,23).
What are the key properties of 2,2-diethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]hexane-1-sulfonamide;[5,5-diethyl-9-(5-ethyl-5-phosphonooxyheptoxy)nonyl] dihydrogen phosphate;[5,5-diethyl-9-[5-ethyl-5-(phosphonooxymethyl)heptoxy]nonyl] dihydrogen phosphate;6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-7-hydroxyheptoxy)-3-ethylheptane-3-sulfonamide;6-(5,5-diethyl-8-hydroxyoctoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-8-hydroxyoctoxy)-3-ethylheptane-3-sulfonamide;[9-(5,5-diethyl-7-phosphonooxyheptoxy)-5,5-diethylnonyl] dihydrogen phosphate;[9-(5,5-diethyl-9-phosphonooxynonoxy)-5,5-diethylnonyl] dihydrogen phosphate;[8-(5,5-diethyl-9-phosphonooxynonoxy)-4,4-diethyloctyl] dihydrogen phosphate;3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-3-sulfonamide?
2,2-diethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]hexane-1-sulfonamide;[5,5-diethyl-9-(5-ethyl-5-phosphonooxyheptoxy)nonyl] dihydrogen phosphate;[5,5-diethyl-9-[5-ethyl-5-(phosphonooxymethyl)heptoxy]nonyl] dihydrogen phosphate;6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-7-hydroxyheptoxy)-3-ethylheptane-3-sulfonamide;6-(5,5-diethyl-8-hydroxyoctoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-8-hydroxyoctoxy)-3-ethylheptane-3-sulfonamide;[9-(5,5-diethyl-7-phosphonooxyheptoxy)-5,5-diethylnonyl] dihydrogen phosphate;[9-(5,5-diethyl-9-phosphonooxynonoxy)-5,5-diethylnonyl] dihydrogen phosphate;[8-(5,5-diethyl-9-phosphonooxynonoxy)-4,4-diethyloctyl] dihydrogen phosphate;3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-3-sulfonamide has a molecular weight of 5136.98 g/mol, XLogP of 60.84, 225 rotatable bonds, 32 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-6-[5-ethyl-5-(hydroxymethyl)heptoxy]hexane-1-sulfonamide;[5,5-diethyl-9-(5-ethyl-5-phosphonooxyheptoxy)nonyl] dihydrogen phosphate;[5,5-diethyl-9-[5-ethyl-5-(phosphonooxymethyl)heptoxy]nonyl] dihydrogen phosphate;6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-7-hydroxyheptoxy)-3-ethylheptane-3-sulfonamide;6-(5,5-diethyl-8-hydroxyoctoxy)-2,2-diethylhexane-1-sulfonamide;7-(5,5-diethyl-8-hydroxyoctoxy)-3-ethylheptane-3-sulfonamide;[9-(5,5-diethyl-7-phosphonooxyheptoxy)-5,5-diethylnonyl] dihydrogen phosphate;[9-(5,5-diethyl-9-phosphonooxynonoxy)-5,5-diethylnonyl] dihydrogen phosphate;[8-(5,5-diethyl-9-phosphonooxynonoxy)-4,4-diethyloctyl] dihydrogen phosphate;3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptane-3-sulfonamide is sourced from PubChem (CID 158274003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).