1-(3,3-difluoro-5-propan-2-yloxypentoxy)-3-methylbutan-2-one;1-[(3,3-difluoro-5-propan-2-yloxypentyl)amino]-3-methylbutan-2-one;methane;N-methyl-5-(3-methyl-2-oxobutoxy)-N-(2-propan-2-yloxyethyl)pentanamide;2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;5-[(3-methyl-2-oxobutoxy)methyl]-N-propan-2-ylpyridine-2-carboxamide;8-(3-methyl-2-oxobutoxy)-1-propan-2-yloxyoctan-4-one;3-methyl-1-[2-(4-propan-2-yloxybutoxy)ethoxy]butan-2-one;bis(2-methyl-6-[6-(propan-2-yloxymethyl)-3-pyridinyl]hexan-3-one);3-methyl-1-[[2-(propan-2-yloxymethyl)-3-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[2-(propan-2-yloxymethyl)-4-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methoxy]butan-2-one;bis(2-methyl-13-propan-2-yloxytridecan-3-one)

C253H456F4N12O58 — CID 158761982

IUPAC1-(3,3-difluoro-5-propan-2-yloxypentoxy)-3-methylbutan-2-one;1-[(3,3-difluoro-5-propan-2-yloxypentyl)amino]-3-methylbutan-2-one;methane;N-methyl-5-(3-methyl-2-oxobutoxy)-N-(2-propan-2-yloxyethyl)pentanamide;2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;5-[(3-methyl-2-oxobutoxy)methyl]-N-propan-2-ylpyridine-2-carboxamide;8-(3-methyl-2-oxobutoxy)-1-propan-2-yloxyoctan-4-one;3-methyl-1-[2-(4-propan-2-yloxybutoxy)ethoxy]butan-2-one;bis(2-methyl-6-[6-(propan-2-yloxymethyl)-3-pyridinyl]hexan-3-one);3-methyl-1-[[2-(propan-2-yloxymethyl)-3-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[2-(propan-2-yloxymethyl)-4-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methoxy]butan-2-one;bis(2-methyl-13-propan-2-yloxytridecan-3-one)
SMILESC.CC(C)NC(=O)COCCOCCOCCOCC(=O)C(C)C.CC(C)NC(=O)COCCOCCOCCOCCOCC(=O)C(C)C.CC(C)NC(=O)COCCOCCOCCOCCOCCOCC(=O)C(C)C.CC(C)NC(=O)c1ccc(COCC(=O)C(C)C)cn1.CC(C)OCCC(F)(F)CCNCC(=O)C(C)C.CC(C)OCCC(F)(F)CCOCC(=O)C(C)C.CC(C)OCCCC(=O)CCCCOCC(=O)C(C)C.CC(C)OCCCCCCCCCCC(=O)C(C)C.CC(C)OCCCCCCCCCCC(=O)C(C)C.CC(C)OCCCCOCCOCC(=O)C(C)C.CC(C)OCCN(C)C(=O)CCCCOCC(=O)C(C)C.CC(C)OCc1cc(COCC(=O)C(C)C)ccn1.CC(C)OCc1ccc(CCCC(=O)C(C)C)cn1.CC(C)OCc1ccc(CCCC(=O)C(C)C)cn1.CC(C)OCc1cccc(COCC(=O)C(C)C)n1.CC(C)OCc1ncccc1COCC(=O)C(C)C
InChIInChI=1S/C20H39NO8.C18H35NO7.2C17H34O2.C16H31NO6.C16H31NO4.2C16H25NO2.C16H30O4.C15H22N2O3.3C15H23NO3.C14H28O4.C13H25F2NO2.C13H24F2O3.CH4/c1-17(2)19(22)15-28-13-11-26-9-7-24-5-6-25-8-10-27-12-14-29-16-20(23)21-18(3)4;1-15(2)17(20)13-25-11-9-23-7-5-22-6-8-24-10-12-26-14-18(21)19-16(3)4;2*1-15(2)17(18)13-11-9-7-5-6-8-10-12-14-19-16(3)4;1-13(2)15(18)11-22-9-7-20-5-6-21-8-10-23-12-16(19)17-14(3)4;1-13(2)15(18)12-20-10-7-6-8-16(19)17(5)9-11-21-14(3)4;2*1-12(2)16(18)7-5-6-14-8-9-15(17-10-14)11-19-13(3)4;1-13(2)16(18)12-19-10-6-5-8-15(17)9-7-11-20-14(3)4;1-10(2)14(18)9-20-8-12-5-6-13(16-7-12)15(19)17-11(3)4;1-11(2)15(17)10-18-8-13-5-6-16-14(7-13)9-19-12(3)4;1-11(2)15(17)10-18-8-13-6-5-7-16-14(13)9-19-12(3)4;1-11(2)15(17)10-18-8-13-6-5-7-14(16-13)9-19-12(3)4;1-12(2)14(15)11-17-10-9-16-7-5-6-8-18-13(3)4;1-10(2)12(17)9-16-7-5-13(14,15)6-8-18-11(3)4;1-10(2)12(16)9-17-7-5-13(14,15)6-8-18-11(3)4;/h17-18H,5-16H2,1-4H3,(H,21,23);15-16H,5-14H2,1-4H3,(H,19,21);2*15-16H,5-14H2,1-4H3;13-14H,5-12H2,1-4H3,(H,17,19);13-14H,6-12H2,1-5H3;2*8-10,12-13H,5-7,11H2,1-4H3;13-14H,5-12H2,1-4H3;5-7,10-11H,8-9H2,1-4H3,(H,17,19);3*5-7,11-12H,8-10H2,1-4H3;12-13H,5-11H2,1-4H3;10-11,16H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3;1H4
InChIKeyIOUBRKUVDBXZOQ-UHFFFAOYSA-N
MW4670.45 g/mol
LogP44.32
Rot. Bonds184

About 1-(3,3-difluoro-5-propan-2-yloxypentoxy)-3-methylbutan-2-one;1-[(3,3-difluoro-5-propan-2-yloxypentyl)amino]-3-methylbutan-2-one;methane;N-methyl-5-(3-methyl-2-oxobutoxy)-N-(2-propan-2-yloxyethyl)pentanamide;2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;5-[(3-methyl-2-oxobutoxy)methyl]-N-propan-2-ylpyridine-2-carboxamide;8-(3-methyl-2-oxobutoxy)-1-propan-2-yloxyoctan-4-one;3-methyl-1-[2-(4-propan-2-yloxybutoxy)ethoxy]butan-2-one;bis(2-methyl-6-[6-(propan-2-yloxymethyl)-3-pyridinyl]hexan-3-one);3-methyl-1-[[2-(propan-2-yloxymethyl)-3-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[2-(propan-2-yloxymethyl)-4-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methoxy]butan-2-one;bis(2-methyl-13-propan-2-yloxytridecan-3-one)

1-(3,3-difluoro-5-propan-2-yloxypentoxy)-3-methylbutan-2-one;1-[(3,3-difluoro-5-propan-2-yloxypentyl)amino]-3-methylbutan-2-one;methane;N-methyl-5-(3-methyl-2-oxobutoxy)-N-(2-propan-2-yloxyethyl)pentanamide;2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;5-[(3-methyl-2-oxobutoxy)methyl]-N-propan-2-ylpyridine-2-carboxamide;8-(3-methyl-2-oxobutoxy)-1-propan-2-yloxyoctan-4-one;3-methyl-1-[2-(4-propan-2-yloxybutoxy)ethoxy]butan-2-one;bis(2-methyl-6-[6-(propan-2-yloxymethyl)-3-pyridinyl]hexan-3-one);3-methyl-1-[[2-(propan-2-yloxymethyl)-3-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[2-(propan-2-yloxymethyl)-4-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methoxy]butan-2-one;bis(2-methyl-13-propan-2-yloxytridecan-3-one) (PubChem CID 158761982) has the molecular formula C253H456F4N12O58 and a molecular weight of 4670.45 g/mol. Its IUPAC name is 1-(3,3-difluoro-5-propan-2-yloxypentoxy)-3-methylbutan-2-one;1-[(3,3-difluoro-5-propan-2-yloxypentyl)amino]-3-methylbutan-2-one;methane;N-methyl-5-(3-methyl-2-oxobutoxy)-N-(2-propan-2-yloxyethyl)pentanamide;2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;5-[(3-methyl-2-oxobutoxy)methyl]-N-propan-2-ylpyridine-2-carboxamide;8-(3-methyl-2-oxobutoxy)-1-propan-2-yloxyoctan-4-one;3-methyl-1-[2-(4-propan-2-yloxybutoxy)ethoxy]butan-2-one;bis(2-methyl-6-[6-(propan-2-yloxymethyl)-3-pyridinyl]hexan-3-one);3-methyl-1-[[2-(propan-2-yloxymethyl)-3-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[2-(propan-2-yloxymethyl)-4-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methoxy]butan-2-one;bis(2-methyl-13-propan-2-yloxytridecan-3-one).

Molecular Properties

Compound Name1-(3,3-difluoro-5-propan-2-yloxypentoxy)-3-methylbutan-2-one;1-[(3,3-difluoro-5-propan-2-yloxypentyl)amino]-3-methylbutan-2-one;methane;N-methyl-5-(3-methyl-2-oxobutoxy)-N-(2-propan-2-yloxyethyl)pentanamide;2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;5-[(3-methyl-2-oxobutoxy)methyl]-N-propan-2-ylpyridine-2-carboxamide;8-(3-methyl-2-oxobutoxy)-1-propan-2-yloxyoctan-4-one;3-methyl-1-[2-(4-propan-2-yloxybutoxy)ethoxy]butan-2-one;bis(2-methyl-6-[6-(propan-2-yloxymethyl)-3-pyridinyl]hexan-3-one);3-methyl-1-[[2-(propan-2-yloxymethyl)-3-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[2-(propan-2-yloxymethyl)-4-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methoxy]butan-2-one;bis(2-methyl-13-propan-2-yloxytridecan-3-one)
PubChem CID158761982
Molecular FormulaC253H456F4N12O58
Molecular Weight4670.45 g/mol
Exact Mass4667.30
IUPAC Name1-(3,3-difluoro-5-propan-2-yloxypentoxy)-3-methylbutan-2-one;1-[(3,3-difluoro-5-propan-2-yloxypentyl)amino]-3-methylbutan-2-one;methane;N-methyl-5-(3-methyl-2-oxobutoxy)-N-(2-propan-2-yloxyethyl)pentanamide;2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;5-[(3-methyl-2-oxobutoxy)methyl]-N-propan-2-ylpyridine-2-carboxamide;8-(3-methyl-2-oxobutoxy)-1-propan-2-yloxyoctan-4-one;3-methyl-1-[2-(4-propan-2-yloxybutoxy)ethoxy]butan-2-one;bis(2-methyl-6-[6-(propan-2-yloxymethyl)-3-pyridinyl]hexan-3-one);3-methyl-1-[[2-(propan-2-yloxymethyl)-3-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[2-(propan-2-yloxymethyl)-4-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methoxy]butan-2-one;bis(2-methyl-13-propan-2-yloxytridecan-3-one)
SMILESC.CC(C)NC(=O)COCCOCCOCCOCC(=O)C(C)C.CC(C)NC(=O)COCCOCCOCCOCCOCC(=O)C(C)C.CC(C)NC(=O)COCCOCCOCCOCCOCCOCC(=O)C(C)C.CC(C)NC(=O)c1ccc(COCC(=O)C(C)C)cn1.CC(C)OCCC(F)(F)CCNCC(=O)C(C)C.CC(C)OCCC(F)(F)CCOCC(=O)C(C)C.CC(C)OCCCC(=O)CCCCOCC(=O)C(C)C.CC(C)OCCCCCCCCCCC(=O)C(C)C.CC(C)OCCCCCCCCCCC(=O)C(C)C.CC(C)OCCCCOCCOCC(=O)C(C)C.CC(C)OCCN(C)C(=O)CCCCOCC(=O)C(C)C.CC(C)OCc1cc(COCC(=O)C(C)C)ccn1.CC(C)OCc1ccc(CCCC(=O)C(C)C)cn1.CC(C)OCc1ccc(CCCC(=O)C(C)C)cn1.CC(C)OCc1cccc(COCC(=O)C(C)C)n1.CC(C)OCc1ncccc1COCC(=O)C(C)C
InChIInChI=1S/C20H39NO8.C18H35NO7.2C17H34O2.C16H31NO6.C16H31NO4.2C16H25NO2.C16H30O4.C15H22N2O3.3C15H23NO3.C14H28O4.C13H25F2NO2.C13H24F2O3.CH4/c1-17(2)19(22)15-28-13-11-26-9-7-24-5-6-25-8-10-27-12-14-29-16-20(23)21-18(3)4;1-15(2)17(20)13-25-11-9-23-7-5-22-6-8-24-10-12-26-14-18(21)19-16(3)4;2*1-15(2)17(18)13-11-9-7-5-6-8-10-12-14-19-16(3)4;1-13(2)15(18)11-22-9-7-20-5-6-21-8-10-23-12-16(19)17-14(3)4;1-13(2)15(18)12-20-10-7-6-8-16(19)17(5)9-11-21-14(3)4;2*1-12(2)16(18)7-5-6-14-8-9-15(17-10-14)11-19-13(3)4;1-13(2)16(18)12-19-10-6-5-8-15(17)9-7-11-20-14(3)4;1-10(2)14(18)9-20-8-12-5-6-13(16-7-12)15(19)17-11(3)4;1-11(2)15(17)10-18-8-13-5-6-16-14(7-13)9-19-12(3)4;1-11(2)15(17)10-18-8-13-6-5-7-16-14(13)9-19-12(3)4;1-11(2)15(17)10-18-8-13-6-5-7-14(16-13)9-19-12(3)4;1-12(2)14(15)11-17-10-9-16-7-5-6-8-18-13(3)4;1-10(2)12(17)9-16-7-5-13(14,15)6-8-18-11(3)4;1-10(2)12(16)9-17-7-5-13(14,15)6-8-18-11(3)4;/h17-18H,5-16H2,1-4H3,(H,21,23);15-16H,5-14H2,1-4H3,(H,19,21);2*15-16H,5-14H2,1-4H3;13-14H,5-12H2,1-4H3,(H,17,19);13-14H,6-12H2,1-5H3;2*8-10,12-13H,5-7,11H2,1-4H3;13-14H,5-12H2,1-4H3;5-7,10-11H,8-9H2,1-4H3,(H,17,19);3*5-7,11-12H,8-10H2,1-4H3;12-13H,5-11H2,1-4H3;10-11,16H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3;1H4
InChIKeyIOUBRKUVDBXZOQ-UHFFFAOYSA-N
XLogP44.32
TPSA848.55 Ų
H-Bond Donors5
H-Bond Acceptors65
Rotatable Bonds184
Heavy Atoms327
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004670.45
LogP ≤ 544.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1065

Analyze 1-(3,3-difluoro-5-propan-2-yloxypentoxy)-3-methylbutan-2-one;1-[(3,3-difluoro-5-propan-2-yloxypentyl)amino]-3-methylbutan-2-one;methane;N-methyl-5-(3-methyl-2-oxobutoxy)-N-(2-propan-2-yloxyethyl)pentanamide;2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;5-[(3-methyl-2-oxobutoxy)methyl]-N-propan-2-ylpyridine-2-carboxamide;8-(3-methyl-2-oxobutoxy)-1-propan-2-yloxyoctan-4-one;3-methyl-1-[2-(4-propan-2-yloxybutoxy)ethoxy]butan-2-one;bis(2-methyl-6-[6-(propan-2-yloxymethyl)-3-pyridinyl]hexan-3-one);3-methyl-1-[[2-(propan-2-yloxymethyl)-3-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[2-(propan-2-yloxymethyl)-4-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methoxy]butan-2-one;bis(2-methyl-13-propan-2-yloxytridecan-3-one) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-5-propan-2-yloxypentoxy)-3-methylbutan-2-one;1-[(3,3-difluoro-5-propan-2-yloxypentyl)amino]-3-methylbutan-2-one;methane;N-methyl-5-(3-methyl-2-oxobutoxy)-N-(2-propan-2-yloxyethyl)pentanamide;2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;5-[(3-methyl-2-oxobutoxy)methyl]-N-propan-2-ylpyridine-2-carboxamide;8-(3-methyl-2-oxobutoxy)-1-propan-2-yloxyoctan-4-one;3-methyl-1-[2-(4-propan-2-yloxybutoxy)ethoxy]butan-2-one;bis(2-methyl-6-[6-(propan-2-yloxymethyl)-3-pyridinyl]hexan-3-one);3-methyl-1-[[2-(propan-2-yloxymethyl)-3-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[2-(propan-2-yloxymethyl)-4-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methoxy]butan-2-one;bis(2-methyl-13-propan-2-yloxytridecan-3-one)?
The IUPAC name of 1-(3,3-difluoro-5-propan-2-yloxypentoxy)-3-methylbutan-2-one;1-[(3,3-difluoro-5-propan-2-yloxypentyl)amino]-3-methylbutan-2-one;methane;N-methyl-5-(3-methyl-2-oxobutoxy)-N-(2-propan-2-yloxyethyl)pentanamide;2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;5-[(3-methyl-2-oxobutoxy)methyl]-N-propan-2-ylpyridine-2-carboxamide;8-(3-methyl-2-oxobutoxy)-1-propan-2-yloxyoctan-4-one;3-methyl-1-[2-(4-propan-2-yloxybutoxy)ethoxy]butan-2-one;bis(2-methyl-6-[6-(propan-2-yloxymethyl)-3-pyridinyl]hexan-3-one);3-methyl-1-[[2-(propan-2-yloxymethyl)-3-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[2-(propan-2-yloxymethyl)-4-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methoxy]butan-2-one;bis(2-methyl-13-propan-2-yloxytridecan-3-one) (CID 158761982) is 1-(3,3-difluoro-5-propan-2-yloxypentoxy)-3-methylbutan-2-one;1-[(3,3-difluoro-5-propan-2-yloxypentyl)amino]-3-methylbutan-2-one;methane;N-methyl-5-(3-methyl-2-oxobutoxy)-N-(2-propan-2-yloxyethyl)pentanamide;2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;5-[(3-methyl-2-oxobutoxy)methyl]-N-propan-2-ylpyridine-2-carboxamide;8-(3-methyl-2-oxobutoxy)-1-propan-2-yloxyoctan-4-one;3-methyl-1-[2-(4-propan-2-yloxybutoxy)ethoxy]butan-2-one;bis(2-methyl-6-[6-(propan-2-yloxymethyl)-3-pyridinyl]hexan-3-one);3-methyl-1-[[2-(propan-2-yloxymethyl)-3-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[2-(propan-2-yloxymethyl)-4-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methoxy]butan-2-one;bis(2-methyl-13-propan-2-yloxytridecan-3-one).
What is the SMILES notation for 1-(3,3-difluoro-5-propan-2-yloxypentoxy)-3-methylbutan-2-one;1-[(3,3-difluoro-5-propan-2-yloxypentyl)amino]-3-methylbutan-2-one;methane;N-methyl-5-(3-methyl-2-oxobutoxy)-N-(2-propan-2-yloxyethyl)pentanamide;2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;5-[(3-methyl-2-oxobutoxy)methyl]-N-propan-2-ylpyridine-2-carboxamide;8-(3-methyl-2-oxobutoxy)-1-propan-2-yloxyoctan-4-one;3-methyl-1-[2-(4-propan-2-yloxybutoxy)ethoxy]butan-2-one;bis(2-methyl-6-[6-(propan-2-yloxymethyl)-3-pyridinyl]hexan-3-one);3-methyl-1-[[2-(propan-2-yloxymethyl)-3-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[2-(propan-2-yloxymethyl)-4-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methoxy]butan-2-one;bis(2-methyl-13-propan-2-yloxytridecan-3-one)?
The canonical SMILES for 1-(3,3-difluoro-5-propan-2-yloxypentoxy)-3-methylbutan-2-one;1-[(3,3-difluoro-5-propan-2-yloxypentyl)amino]-3-methylbutan-2-one;methane;N-methyl-5-(3-methyl-2-oxobutoxy)-N-(2-propan-2-yloxyethyl)pentanamide;2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;5-[(3-methyl-2-oxobutoxy)methyl]-N-propan-2-ylpyridine-2-carboxamide;8-(3-methyl-2-oxobutoxy)-1-propan-2-yloxyoctan-4-one;3-methyl-1-[2-(4-propan-2-yloxybutoxy)ethoxy]butan-2-one;bis(2-methyl-6-[6-(propan-2-yloxymethyl)-3-pyridinyl]hexan-3-one);3-methyl-1-[[2-(propan-2-yloxymethyl)-3-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[2-(propan-2-yloxymethyl)-4-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methoxy]butan-2-one;bis(2-methyl-13-propan-2-yloxytridecan-3-one) is C.CC(C)NC(=O)COCCOCCOCCOCC(=O)C(C)C.CC(C)NC(=O)COCCOCCOCCOCCOCC(=O)C(C)C.CC(C)NC(=O)COCCOCCOCCOCCOCCOCC(=O)C(C)C.CC(C)NC(=O)c1ccc(COCC(=O)C(C)C)cn1.CC(C)OCCC(F)(F)CCNCC(=O)C(C)C.CC(C)OCCC(F)(F)CCOCC(=O)C(C)C.CC(C)OCCCC(=O)CCCCOCC(=O)C(C)C.CC(C)OCCCCCCCCCCC(=O)C(C)C.CC(C)OCCCCCCCCCCC(=O)C(C)C.CC(C)OCCCCOCCOCC(=O)C(C)C.CC(C)OCCN(C)C(=O)CCCCOCC(=O)C(C)C.CC(C)OCc1cc(COCC(=O)C(C)C)ccn1.CC(C)OCc1ccc(CCCC(=O)C(C)C)cn1.CC(C)OCc1ccc(CCCC(=O)C(C)C)cn1.CC(C)OCc1cccc(COCC(=O)C(C)C)n1.CC(C)OCc1ncccc1COCC(=O)C(C)C.
What is the InChIKey of 1-(3,3-difluoro-5-propan-2-yloxypentoxy)-3-methylbutan-2-one;1-[(3,3-difluoro-5-propan-2-yloxypentyl)amino]-3-methylbutan-2-one;methane;N-methyl-5-(3-methyl-2-oxobutoxy)-N-(2-propan-2-yloxyethyl)pentanamide;2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;5-[(3-methyl-2-oxobutoxy)methyl]-N-propan-2-ylpyridine-2-carboxamide;8-(3-methyl-2-oxobutoxy)-1-propan-2-yloxyoctan-4-one;3-methyl-1-[2-(4-propan-2-yloxybutoxy)ethoxy]butan-2-one;bis(2-methyl-6-[6-(propan-2-yloxymethyl)-3-pyridinyl]hexan-3-one);3-methyl-1-[[2-(propan-2-yloxymethyl)-3-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[2-(propan-2-yloxymethyl)-4-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methoxy]butan-2-one;bis(2-methyl-13-propan-2-yloxytridecan-3-one)?
The InChIKey is IOUBRKUVDBXZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO8.C18H35NO7.2C17H34O2.C16H31NO6.C16H31NO4.2C16H25NO2.C16H30O4.C15H22N2O3.3C15H23NO3.C14H28O4.C13H25F2NO2.C13H24F2O3.CH4/c1-17(2)19(22)15-28-13-11-26-9-7-24-5-6-25-8-10-27-12-14-29-16-20(23)21-18(3)4;1-15(2)17(20)13-25-11-9-23-7-5-22-6-8-24-10-12-26-14-18(21)19-16(3)4;2*1-15(2)17(18)13-11-9-7-5-6-8-10-12-14-19-16(3)4;1-13(2)15(18)11-22-9-7-20-5-6-21-8-10-23-12-16(19)17-14(3)4;1-13(2)15(18)12-20-10-7-6-8-16(19)17(5)9-11-21-14(3)4;2*1-12(2)16(18)7-5-6-14-8-9-15(17-10-14)11-19-13(3)4;1-13(2)16(18)12-19-10-6-5-8-15(17)9-7-11-20-14(3)4;1-10(2)14(18)9-20-8-12-5-6-13(16-7-12)15(19)17-11(3)4;1-11(2)15(17)10-18-8-13-5-6-16-14(7-13)9-19-12(3)4;1-11(2)15(17)10-18-8-13-6-5-7-16-14(13)9-19-12(3)4;1-11(2)15(17)10-18-8-13-6-5-7-14(16-13)9-19-12(3)4;1-12(2)14(15)11-17-10-9-16-7-5-6-8-18-13(3)4;1-10(2)12(17)9-16-7-5-13(14,15)6-8-18-11(3)4;1-10(2)12(16)9-17-7-5-13(14,15)6-8-18-11(3)4;/h17-18H,5-16H2,1-4H3,(H,21,23);15-16H,5-14H2,1-4H3,(H,19,21);2*15-16H,5-14H2,1-4H3;13-14H,5-12H2,1-4H3,(H,17,19);13-14H,6-12H2,1-5H3;2*8-10,12-13H,5-7,11H2,1-4H3;13-14H,5-12H2,1-4H3;5-7,10-11H,8-9H2,1-4H3,(H,17,19);3*5-7,11-12H,8-10H2,1-4H3;12-13H,5-11H2,1-4H3;10-11,16H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3;1H4.
What are the key properties of 1-(3,3-difluoro-5-propan-2-yloxypentoxy)-3-methylbutan-2-one;1-[(3,3-difluoro-5-propan-2-yloxypentyl)amino]-3-methylbutan-2-one;methane;N-methyl-5-(3-methyl-2-oxobutoxy)-N-(2-propan-2-yloxyethyl)pentanamide;2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;5-[(3-methyl-2-oxobutoxy)methyl]-N-propan-2-ylpyridine-2-carboxamide;8-(3-methyl-2-oxobutoxy)-1-propan-2-yloxyoctan-4-one;3-methyl-1-[2-(4-propan-2-yloxybutoxy)ethoxy]butan-2-one;bis(2-methyl-6-[6-(propan-2-yloxymethyl)-3-pyridinyl]hexan-3-one);3-methyl-1-[[2-(propan-2-yloxymethyl)-3-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[2-(propan-2-yloxymethyl)-4-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methoxy]butan-2-one;bis(2-methyl-13-propan-2-yloxytridecan-3-one)?
1-(3,3-difluoro-5-propan-2-yloxypentoxy)-3-methylbutan-2-one;1-[(3,3-difluoro-5-propan-2-yloxypentyl)amino]-3-methylbutan-2-one;methane;N-methyl-5-(3-methyl-2-oxobutoxy)-N-(2-propan-2-yloxyethyl)pentanamide;2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;5-[(3-methyl-2-oxobutoxy)methyl]-N-propan-2-ylpyridine-2-carboxamide;8-(3-methyl-2-oxobutoxy)-1-propan-2-yloxyoctan-4-one;3-methyl-1-[2-(4-propan-2-yloxybutoxy)ethoxy]butan-2-one;bis(2-methyl-6-[6-(propan-2-yloxymethyl)-3-pyridinyl]hexan-3-one);3-methyl-1-[[2-(propan-2-yloxymethyl)-3-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[2-(propan-2-yloxymethyl)-4-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methoxy]butan-2-one;bis(2-methyl-13-propan-2-yloxytridecan-3-one) has a molecular weight of 4670.45 g/mol, XLogP of 44.32, 184 rotatable bonds, 5 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-5-propan-2-yloxypentoxy)-3-methylbutan-2-one;1-[(3,3-difluoro-5-propan-2-yloxypentyl)amino]-3-methylbutan-2-one;methane;N-methyl-5-(3-methyl-2-oxobutoxy)-N-(2-propan-2-yloxyethyl)pentanamide;2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide;5-[(3-methyl-2-oxobutoxy)methyl]-N-propan-2-ylpyridine-2-carboxamide;8-(3-methyl-2-oxobutoxy)-1-propan-2-yloxyoctan-4-one;3-methyl-1-[2-(4-propan-2-yloxybutoxy)ethoxy]butan-2-one;bis(2-methyl-6-[6-(propan-2-yloxymethyl)-3-pyridinyl]hexan-3-one);3-methyl-1-[[2-(propan-2-yloxymethyl)-3-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[2-(propan-2-yloxymethyl)-4-pyridinyl]methoxy]butan-2-one;3-methyl-1-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methoxy]butan-2-one;bis(2-methyl-13-propan-2-yloxytridecan-3-one) is sourced from PubChem (CID 158761982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).