2,2-dimethyl-N-(2,4,4-trimethyl-3-oxopentan-2-yl)propanamide;2,2,4,4,8,8-hexamethylnonane-3,7-dione;2,2,5,5,8,8-hexamethylnonane-3,7-dione;2-hydroxy-N-(2,4,4-trimethyl-3-oxopentan-2-yl)acetamide;2-methylpropane;(4R)-2,2,4,8,8-pentamethylnonane-3,7-dione;(4S)-2,2,4,8,8-pentamethylnonane-3,7-dione;4,4,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;5,5,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4S)-4,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione

C162H306N2O28 — CID 163654473

IUPAC2,2-dimethyl-N-(2,4,4-trimethyl-3-oxopentan-2-yl)propanamide;2,2,4,4,8,8-hexamethylnonane-3,7-dione;2,2,5,5,8,8-hexamethylnonane-3,7-dione;2-hydroxy-N-(2,4,4-trimethyl-3-oxopentan-2-yl)acetamide;2-methylpropane;(4R)-2,2,4,8,8-pentamethylnonane-3,7-dione;(4S)-2,2,4,8,8-pentamethylnonane-3,7-dione;4,4,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;5,5,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4S)-4,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione
SMILESCC(C)(C)C(=O)C(C)(C)NC(=O)CO.CC(C)(C)C(=O)CCC(C)(C)C(=O)C(C)(C)C.CC(C)(C)C(=O)NC(C)(C)C(=O)C(C)(C)C.CC(C)(C)OCC(=O)CCC(C)(C)C(=O)C(C)(C)C.CC(C)(CC(=O)C(C)(C)C)CC(=O)C(C)(C)C.CC(C)(CC(=O)COC(C)(C)C)CC(=O)C(C)(C)C.CC(C)C.C[C@@H](CCC(=O)C(C)(C)C)C(=O)C(C)(C)C.C[C@@H](CCC(=O)COC(C)(C)C)C(=O)C(C)(C)C.C[C@H](CC(=O)COC(C)(C)C)CC(=O)C(C)(C)C.C[C@H](CCC(=O)C(C)(C)C)C(=O)C(C)(C)C.C[C@H](CCC(=O)COC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/2C16H30O3.3C15H28O3.2C15H28O2.2C14H26O2.C13H25NO2.C10H19NO3.C4H10/c1-14(2,3)13(18)10-16(7,8)9-12(17)11-19-15(4,5)6;1-14(2,3)13(18)16(7,8)10-9-12(17)11-19-15(4,5)6;1-11(9-13(17)14(2,3)4)8-12(16)10-18-15(5,6)7;2*1-11(13(17)14(2,3)4)8-9-12(16)10-18-15(5,6)7;1-13(2,3)11(16)9-15(7,8)10-12(17)14(4,5)6;1-13(2,3)11(16)9-10-15(7,8)12(17)14(4,5)6;2*1-10(12(16)14(5,6)7)8-9-11(15)13(2,3)4;1-11(2,3)9(15)13(7,8)14-10(16)12(4,5)6;1-9(2,3)8(14)10(4,5)11-7(13)6-12;1-4(2)3/h2*9-11H2,1-8H3;3*11H,8-10H2,1-7H3;2*9-10H2,1-8H3;2*10H,8-9H2,1-7H3;1-8H3,(H,14,16);12H,6H2,1-5H3,(H,11,13);4H,1-3H3/t;;3*11-;;;2*10-;;;/m..110..10.../s1
InChIKeyIOYYUGAGOBNWJV-IYXGLPQSSA-N
MW2730.22 g/mol
LogP37.80
Rot. Bonds51

About 2,2-dimethyl-N-(2,4,4-trimethyl-3-oxopentan-2-yl)propanamide;2,2,4,4,8,8-hexamethylnonane-3,7-dione;2,2,5,5,8,8-hexamethylnonane-3,7-dione;2-hydroxy-N-(2,4,4-trimethyl-3-oxopentan-2-yl)acetamide;2-methylpropane;(4R)-2,2,4,8,8-pentamethylnonane-3,7-dione;(4S)-2,2,4,8,8-pentamethylnonane-3,7-dione;4,4,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;5,5,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4S)-4,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione

2,2-dimethyl-N-(2,4,4-trimethyl-3-oxopentan-2-yl)propanamide;2,2,4,4,8,8-hexamethylnonane-3,7-dione;2,2,5,5,8,8-hexamethylnonane-3,7-dione;2-hydroxy-N-(2,4,4-trimethyl-3-oxopentan-2-yl)acetamide;2-methylpropane;(4R)-2,2,4,8,8-pentamethylnonane-3,7-dione;(4S)-2,2,4,8,8-pentamethylnonane-3,7-dione;4,4,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;5,5,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4S)-4,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione (PubChem CID 163654473) has the molecular formula C162H306N2O28 and a molecular weight of 2730.22 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2,4,4-trimethyl-3-oxopentan-2-yl)propanamide;2,2,4,4,8,8-hexamethylnonane-3,7-dione;2,2,5,5,8,8-hexamethylnonane-3,7-dione;2-hydroxy-N-(2,4,4-trimethyl-3-oxopentan-2-yl)acetamide;2-methylpropane;(4R)-2,2,4,8,8-pentamethylnonane-3,7-dione;(4S)-2,2,4,8,8-pentamethylnonane-3,7-dione;4,4,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;5,5,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4S)-4,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-N-(2,4,4-trimethyl-3-oxopentan-2-yl)propanamide;2,2,4,4,8,8-hexamethylnonane-3,7-dione;2,2,5,5,8,8-hexamethylnonane-3,7-dione;2-hydroxy-N-(2,4,4-trimethyl-3-oxopentan-2-yl)acetamide;2-methylpropane;(4R)-2,2,4,8,8-pentamethylnonane-3,7-dione;(4S)-2,2,4,8,8-pentamethylnonane-3,7-dione;4,4,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;5,5,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4S)-4,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione
PubChem CID163654473
Molecular FormulaC162H306N2O28
Molecular Weight2730.22 g/mol
Exact Mass2728.26
IUPAC Name2,2-dimethyl-N-(2,4,4-trimethyl-3-oxopentan-2-yl)propanamide;2,2,4,4,8,8-hexamethylnonane-3,7-dione;2,2,5,5,8,8-hexamethylnonane-3,7-dione;2-hydroxy-N-(2,4,4-trimethyl-3-oxopentan-2-yl)acetamide;2-methylpropane;(4R)-2,2,4,8,8-pentamethylnonane-3,7-dione;(4S)-2,2,4,8,8-pentamethylnonane-3,7-dione;4,4,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;5,5,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4S)-4,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione
SMILESCC(C)(C)C(=O)C(C)(C)NC(=O)CO.CC(C)(C)C(=O)CCC(C)(C)C(=O)C(C)(C)C.CC(C)(C)C(=O)NC(C)(C)C(=O)C(C)(C)C.CC(C)(C)OCC(=O)CCC(C)(C)C(=O)C(C)(C)C.CC(C)(CC(=O)C(C)(C)C)CC(=O)C(C)(C)C.CC(C)(CC(=O)COC(C)(C)C)CC(=O)C(C)(C)C.CC(C)C.C[C@@H](CCC(=O)C(C)(C)C)C(=O)C(C)(C)C.C[C@@H](CCC(=O)COC(C)(C)C)C(=O)C(C)(C)C.C[C@H](CC(=O)COC(C)(C)C)CC(=O)C(C)(C)C.C[C@H](CCC(=O)C(C)(C)C)C(=O)C(C)(C)C.C[C@H](CCC(=O)COC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/2C16H30O3.3C15H28O3.2C15H28O2.2C14H26O2.C13H25NO2.C10H19NO3.C4H10/c1-14(2,3)13(18)10-16(7,8)9-12(17)11-19-15(4,5)6;1-14(2,3)13(18)16(7,8)10-9-12(17)11-19-15(4,5)6;1-11(9-13(17)14(2,3)4)8-12(16)10-18-15(5,6)7;2*1-11(13(17)14(2,3)4)8-9-12(16)10-18-15(5,6)7;1-13(2,3)11(16)9-15(7,8)10-12(17)14(4,5)6;1-13(2,3)11(16)9-10-15(7,8)12(17)14(4,5)6;2*1-10(12(16)14(5,6)7)8-9-11(15)13(2,3)4;1-11(2,3)9(15)13(7,8)14-10(16)12(4,5)6;1-9(2,3)8(14)10(4,5)11-7(13)6-12;1-4(2)3/h2*9-11H2,1-8H3;3*11H,8-10H2,1-7H3;2*9-10H2,1-8H3;2*10H,8-9H2,1-7H3;1-8H3,(H,14,16);12H,6H2,1-5H3,(H,11,13);4H,1-3H3/t;;3*11-;;;2*10-;;;/m..110..10.../s1
InChIKeyIOYYUGAGOBNWJV-IYXGLPQSSA-N
XLogP37.80
TPSA465.98 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds51
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002730.22
LogP ≤ 537.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze 2,2-dimethyl-N-(2,4,4-trimethyl-3-oxopentan-2-yl)propanamide;2,2,4,4,8,8-hexamethylnonane-3,7-dione;2,2,5,5,8,8-hexamethylnonane-3,7-dione;2-hydroxy-N-(2,4,4-trimethyl-3-oxopentan-2-yl)acetamide;2-methylpropane;(4R)-2,2,4,8,8-pentamethylnonane-3,7-dione;(4S)-2,2,4,8,8-pentamethylnonane-3,7-dione;4,4,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;5,5,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4S)-4,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione with MolForge

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Related Compounds

(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione
CID 163595845
(4R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)octane-2,6-dione;(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;(5S)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-(2-methylpropyl)octane-2,6-dione;2-[(2-methylpropan-2-yl)oxy]-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]acetamide;2,2,8,8-tetramethyl-5-(2-methylpropyl)nonane-3,7-dione;(4R)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione;(4S)-2,2,8,8-tetramethyl-4-(2-methylpropyl)nonane-3,7-dione
CID 163649544
(5R)-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]-5-propan-2-yloctane-2,6-dione
CID 163612806
(5S)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione
CID 163464651
2,2-dimethyl-7-[(2-methylpropan-2-yl)oxy]heptan-3-one;2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hexan-3-one;(5R)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5-fluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4R)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;(4S)-4-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;5-fluoro-2,2,8,8-tetramethylnonane-3,7-dione;2,2,8,8-tetramethylnonan-3-one;2,2,7,7-tetramethyloctan-3-one
CID 163852610
2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione
CID 167423974
(4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione
CID 140940119
6-methyl-1-[(2-methylpropan-2-yl)oxy]heptan-2-one
CID 105125614
1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 57241276
5,7,7-trimethyloctane-2,6-dione
CID 87142826
2,7-dimethyloctan-4-one;3-methyl-N-propan-2-ylbutanamide;2,2,6-trimethylheptan-3-one
CID 158719628
2-(propan-2-ylamino)-N-(2,2,8,8-tetramethyl-3,7-dioxononan-4-yl)acetamide
CID 167423969

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2,4,4-trimethyl-3-oxopentan-2-yl)propanamide;2,2,4,4,8,8-hexamethylnonane-3,7-dione;2,2,5,5,8,8-hexamethylnonane-3,7-dione;2-hydroxy-N-(2,4,4-trimethyl-3-oxopentan-2-yl)acetamide;2-methylpropane;(4R)-2,2,4,8,8-pentamethylnonane-3,7-dione;(4S)-2,2,4,8,8-pentamethylnonane-3,7-dione;4,4,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;5,5,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4S)-4,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione?
The IUPAC name of 2,2-dimethyl-N-(2,4,4-trimethyl-3-oxopentan-2-yl)propanamide;2,2,4,4,8,8-hexamethylnonane-3,7-dione;2,2,5,5,8,8-hexamethylnonane-3,7-dione;2-hydroxy-N-(2,4,4-trimethyl-3-oxopentan-2-yl)acetamide;2-methylpropane;(4R)-2,2,4,8,8-pentamethylnonane-3,7-dione;(4S)-2,2,4,8,8-pentamethylnonane-3,7-dione;4,4,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;5,5,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4S)-4,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione (CID 163654473) is 2,2-dimethyl-N-(2,4,4-trimethyl-3-oxopentan-2-yl)propanamide;2,2,4,4,8,8-hexamethylnonane-3,7-dione;2,2,5,5,8,8-hexamethylnonane-3,7-dione;2-hydroxy-N-(2,4,4-trimethyl-3-oxopentan-2-yl)acetamide;2-methylpropane;(4R)-2,2,4,8,8-pentamethylnonane-3,7-dione;(4S)-2,2,4,8,8-pentamethylnonane-3,7-dione;4,4,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;5,5,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4S)-4,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione.
What is the SMILES notation for 2,2-dimethyl-N-(2,4,4-trimethyl-3-oxopentan-2-yl)propanamide;2,2,4,4,8,8-hexamethylnonane-3,7-dione;2,2,5,5,8,8-hexamethylnonane-3,7-dione;2-hydroxy-N-(2,4,4-trimethyl-3-oxopentan-2-yl)acetamide;2-methylpropane;(4R)-2,2,4,8,8-pentamethylnonane-3,7-dione;(4S)-2,2,4,8,8-pentamethylnonane-3,7-dione;4,4,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;5,5,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4S)-4,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione?
The canonical SMILES for 2,2-dimethyl-N-(2,4,4-trimethyl-3-oxopentan-2-yl)propanamide;2,2,4,4,8,8-hexamethylnonane-3,7-dione;2,2,5,5,8,8-hexamethylnonane-3,7-dione;2-hydroxy-N-(2,4,4-trimethyl-3-oxopentan-2-yl)acetamide;2-methylpropane;(4R)-2,2,4,8,8-pentamethylnonane-3,7-dione;(4S)-2,2,4,8,8-pentamethylnonane-3,7-dione;4,4,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;5,5,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4S)-4,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione is CC(C)(C)C(=O)C(C)(C)NC(=O)CO.CC(C)(C)C(=O)CCC(C)(C)C(=O)C(C)(C)C.CC(C)(C)C(=O)NC(C)(C)C(=O)C(C)(C)C.CC(C)(C)OCC(=O)CCC(C)(C)C(=O)C(C)(C)C.CC(C)(CC(=O)C(C)(C)C)CC(=O)C(C)(C)C.CC(C)(CC(=O)COC(C)(C)C)CC(=O)C(C)(C)C.CC(C)C.C[C@@H](CCC(=O)C(C)(C)C)C(=O)C(C)(C)C.C[C@@H](CCC(=O)COC(C)(C)C)C(=O)C(C)(C)C.C[C@H](CC(=O)COC(C)(C)C)CC(=O)C(C)(C)C.C[C@H](CCC(=O)C(C)(C)C)C(=O)C(C)(C)C.C[C@H](CCC(=O)COC(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2,4,4-trimethyl-3-oxopentan-2-yl)propanamide;2,2,4,4,8,8-hexamethylnonane-3,7-dione;2,2,5,5,8,8-hexamethylnonane-3,7-dione;2-hydroxy-N-(2,4,4-trimethyl-3-oxopentan-2-yl)acetamide;2-methylpropane;(4R)-2,2,4,8,8-pentamethylnonane-3,7-dione;(4S)-2,2,4,8,8-pentamethylnonane-3,7-dione;4,4,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;5,5,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4S)-4,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione?
The InChIKey is IOYYUGAGOBNWJV-IYXGLPQSSA-N. The full InChI is InChI=1S/2C16H30O3.3C15H28O3.2C15H28O2.2C14H26O2.C13H25NO2.C10H19NO3.C4H10/c1-14(2,3)13(18)10-16(7,8)9-12(17)11-19-15(4,5)6;1-14(2,3)13(18)16(7,8)10-9-12(17)11-19-15(4,5)6;1-11(9-13(17)14(2,3)4)8-12(16)10-18-15(5,6)7;2*1-11(13(17)14(2,3)4)8-9-12(16)10-18-15(5,6)7;1-13(2,3)11(16)9-15(7,8)10-12(17)14(4,5)6;1-13(2,3)11(16)9-10-15(7,8)12(17)14(4,5)6;2*1-10(12(16)14(5,6)7)8-9-11(15)13(2,3)4;1-11(2,3)9(15)13(7,8)14-10(16)12(4,5)6;1-9(2,3)8(14)10(4,5)11-7(13)6-12;1-4(2)3/h2*9-11H2,1-8H3;3*11H,8-10H2,1-7H3;2*9-10H2,1-8H3;2*10H,8-9H2,1-7H3;1-8H3,(H,14,16);12H,6H2,1-5H3,(H,11,13);4H,1-3H3/t;;3*11-;;;2*10-;;;/m..110..10.../s1.
What are the key properties of 2,2-dimethyl-N-(2,4,4-trimethyl-3-oxopentan-2-yl)propanamide;2,2,4,4,8,8-hexamethylnonane-3,7-dione;2,2,5,5,8,8-hexamethylnonane-3,7-dione;2-hydroxy-N-(2,4,4-trimethyl-3-oxopentan-2-yl)acetamide;2-methylpropane;(4R)-2,2,4,8,8-pentamethylnonane-3,7-dione;(4S)-2,2,4,8,8-pentamethylnonane-3,7-dione;4,4,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;5,5,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4S)-4,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione?
2,2-dimethyl-N-(2,4,4-trimethyl-3-oxopentan-2-yl)propanamide;2,2,4,4,8,8-hexamethylnonane-3,7-dione;2,2,5,5,8,8-hexamethylnonane-3,7-dione;2-hydroxy-N-(2,4,4-trimethyl-3-oxopentan-2-yl)acetamide;2-methylpropane;(4R)-2,2,4,8,8-pentamethylnonane-3,7-dione;(4S)-2,2,4,8,8-pentamethylnonane-3,7-dione;4,4,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;5,5,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4S)-4,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione has a molecular weight of 2730.22 g/mol, XLogP of 37.80, 51 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2,4,4-trimethyl-3-oxopentan-2-yl)propanamide;2,2,4,4,8,8-hexamethylnonane-3,7-dione;2,2,5,5,8,8-hexamethylnonane-3,7-dione;2-hydroxy-N-(2,4,4-trimethyl-3-oxopentan-2-yl)acetamide;2-methylpropane;(4R)-2,2,4,8,8-pentamethylnonane-3,7-dione;(4S)-2,2,4,8,8-pentamethylnonane-3,7-dione;4,4,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;5,5,7,7-tetramethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(4S)-4,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5R)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione;(5S)-5,7,7-trimethyl-1-[(2-methylpropan-2-yl)oxy]octane-2,6-dione is sourced from PubChem (CID 163654473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).