benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;1-tert-butylsulfonyl-4-nitrobenzene;(4,5-dimethoxy-2-nitrophenyl)methyl 2,2-dimethylpropanoate;2-(3,3-dimethylbutan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione;(2,2-dimethyl-1,1-diphenylpropyl)benzene;2,2-dimethyl-1-(4-phenyldiazenylphenyl)propan-1-one;1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;2-(4-nitrophenyl)sulfonylethyl 2,2-dimethylpropanoate;2-(4-phenylphenyl)propan-2-yl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,2-trichloroethyl 2,2-dimethylpropanoate

C179H236Cl3N5O33S2 — CID 159595240

IUPACbenzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;1-tert-butylsulfonyl-4-nitrobenzene;(4,5-dimethoxy-2-nitrophenyl)methyl 2,2-dimethylpropanoate;2-(3,3-dimethylbutan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione;(2,2-dimethyl-1,1-diphenylpropyl)benzene;2,2-dimethyl-1-(4-phenyldiazenylphenyl)propan-1-one;1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;2-(4-nitrophenyl)sulfonylethyl 2,2-dimethylpropanoate;2-(4-phenylphenyl)propan-2-yl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,2-trichloroethyl 2,2-dimethylpropanoate
SMILESC=CCOC(=O)C(C)(C)C.CC(=C1C(=O)CC(C)(C)CC1=O)C(C)(C)C.CC(C)(C)C(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)C(=O)OCC(Cl)(Cl)Cl.CC(C)(C)C(=O)OCC1c2ccccc2-c2ccccc21.CC(C)(C)C(=O)OCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1.CC(C)(C)C(=O)OCc1ccccc1.CC(C)(C)C(=O)c1ccc(/N=N/c2ccccc2)cc1.CC(C)(C)C(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)(C)OC(=O)C(C)(C)C.CC(C)(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.COc1cc(COC(=O)C(C)(C)C)c([N+](=O)[O-])cc1OC.COc1ccc(CC(C)(C)C)c(OC)c1
InChIInChI=1S/C23H24.C20H24O2.C19H20O2.C17H18N2O.C14H19NO6.C14H22O2.C13H17NO6S.C13H20O2.C12H16O2.C10H13NO4S.C9H18O2.C8H14O2.C7H11Cl3O2/c1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;1-19(2,3)18(21)22-20(4,5)17-13-11-16(12-14-17)15-9-7-6-8-10-15;1-19(2,3)18(20)21-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-17(2,3)16(20)13-9-11-15(12-10-13)19-18-14-7-5-4-6-8-14;1-14(2,3)13(16)21-8-9-6-11(19-4)12(20-5)7-10(9)15(17)18;1-9(13(2,3)4)12-10(15)7-14(5,6)8-11(12)16;1-13(2,3)12(15)20-8-9-21(18,19)11-6-4-10(5-7-11)14(16)17;1-13(2,3)9-10-6-7-11(14-4)8-12(10)15-5;1-12(2,3)11(13)14-9-10-7-5-4-6-8-10;1-10(2,3)16(14,15)9-6-4-8(5-7-9)11(12)13;1-8(2,3)7(10)11-9(4,5)6;1-5-6-10-7(9)8(2,3)4;1-6(2,3)5(11)12-4-7(8,9)10/h4-18H,1-3H3;6-14H,1-5H3;4-11,17H,12H2,1-3H3;4-12H,1-3H3;6-7H,8H2,1-5H3;7-8H2,1-6H3;4-7H,8-9H2,1-3H3;6-8H,9H2,1-5H3;4-8H,9H2,1-3H3;4-7H,1-3H3;1-6H3;5H,1,6H2,2-4H3;4H2,1-3H3/b;;;19-18+;;;;;;;;;
InChIKeyMKTFLKSXYLSFOV-RODHOTOISA-N
MW3156.35 g/mol
LogP44.25
Rot. Bonds31

About benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;1-tert-butylsulfonyl-4-nitrobenzene;(4,5-dimethoxy-2-nitrophenyl)methyl 2,2-dimethylpropanoate;2-(3,3-dimethylbutan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione;(2,2-dimethyl-1,1-diphenylpropyl)benzene;2,2-dimethyl-1-(4-phenyldiazenylphenyl)propan-1-one;1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;2-(4-nitrophenyl)sulfonylethyl 2,2-dimethylpropanoate;2-(4-phenylphenyl)propan-2-yl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,2-trichloroethyl 2,2-dimethylpropanoate

benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;1-tert-butylsulfonyl-4-nitrobenzene;(4,5-dimethoxy-2-nitrophenyl)methyl 2,2-dimethylpropanoate;2-(3,3-dimethylbutan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione;(2,2-dimethyl-1,1-diphenylpropyl)benzene;2,2-dimethyl-1-(4-phenyldiazenylphenyl)propan-1-one;1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;2-(4-nitrophenyl)sulfonylethyl 2,2-dimethylpropanoate;2-(4-phenylphenyl)propan-2-yl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,2-trichloroethyl 2,2-dimethylpropanoate (PubChem CID 159595240) has the molecular formula C179H236Cl3N5O33S2 and a molecular weight of 3156.35 g/mol. Its IUPAC name is benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;1-tert-butylsulfonyl-4-nitrobenzene;(4,5-dimethoxy-2-nitrophenyl)methyl 2,2-dimethylpropanoate;2-(3,3-dimethylbutan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione;(2,2-dimethyl-1,1-diphenylpropyl)benzene;2,2-dimethyl-1-(4-phenyldiazenylphenyl)propan-1-one;1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;2-(4-nitrophenyl)sulfonylethyl 2,2-dimethylpropanoate;2-(4-phenylphenyl)propan-2-yl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,2-trichloroethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namebenzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;1-tert-butylsulfonyl-4-nitrobenzene;(4,5-dimethoxy-2-nitrophenyl)methyl 2,2-dimethylpropanoate;2-(3,3-dimethylbutan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione;(2,2-dimethyl-1,1-diphenylpropyl)benzene;2,2-dimethyl-1-(4-phenyldiazenylphenyl)propan-1-one;1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;2-(4-nitrophenyl)sulfonylethyl 2,2-dimethylpropanoate;2-(4-phenylphenyl)propan-2-yl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,2-trichloroethyl 2,2-dimethylpropanoate
PubChem CID159595240
Molecular FormulaC179H236Cl3N5O33S2
Molecular Weight3156.35 g/mol
Exact Mass3152.54
IUPAC Namebenzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;1-tert-butylsulfonyl-4-nitrobenzene;(4,5-dimethoxy-2-nitrophenyl)methyl 2,2-dimethylpropanoate;2-(3,3-dimethylbutan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione;(2,2-dimethyl-1,1-diphenylpropyl)benzene;2,2-dimethyl-1-(4-phenyldiazenylphenyl)propan-1-one;1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;2-(4-nitrophenyl)sulfonylethyl 2,2-dimethylpropanoate;2-(4-phenylphenyl)propan-2-yl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,2-trichloroethyl 2,2-dimethylpropanoate
SMILESC=CCOC(=O)C(C)(C)C.CC(=C1C(=O)CC(C)(C)CC1=O)C(C)(C)C.CC(C)(C)C(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)C(=O)OCC(Cl)(Cl)Cl.CC(C)(C)C(=O)OCC1c2ccccc2-c2ccccc21.CC(C)(C)C(=O)OCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1.CC(C)(C)C(=O)OCc1ccccc1.CC(C)(C)C(=O)c1ccc(/N=N/c2ccccc2)cc1.CC(C)(C)C(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)(C)OC(=O)C(C)(C)C.CC(C)(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.COc1cc(COC(=O)C(C)(C)C)c([N+](=O)[O-])cc1OC.COc1ccc(CC(C)(C)C)c(OC)c1
InChIInChI=1S/C23H24.C20H24O2.C19H20O2.C17H18N2O.C14H19NO6.C14H22O2.C13H17NO6S.C13H20O2.C12H16O2.C10H13NO4S.C9H18O2.C8H14O2.C7H11Cl3O2/c1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;1-19(2,3)18(21)22-20(4,5)17-13-11-16(12-14-17)15-9-7-6-8-10-15;1-19(2,3)18(20)21-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-17(2,3)16(20)13-9-11-15(12-10-13)19-18-14-7-5-4-6-8-14;1-14(2,3)13(16)21-8-9-6-11(19-4)12(20-5)7-10(9)15(17)18;1-9(13(2,3)4)12-10(15)7-14(5,6)8-11(12)16;1-13(2,3)12(15)20-8-9-21(18,19)11-6-4-10(5-7-11)14(16)17;1-13(2,3)9-10-6-7-11(14-4)8-12(10)15-5;1-12(2,3)11(13)14-9-10-7-5-4-6-8-10;1-10(2,3)16(14,15)9-6-4-8(5-7-9)11(12)13;1-8(2,3)7(10)11-9(4,5)6;1-5-6-10-7(9)8(2,3)4;1-6(2,3)5(11)12-4-7(8,9)10/h4-18H,1-3H3;6-14H,1-5H3;4-11,17H,12H2,1-3H3;4-12H,1-3H3;6-7H,8H2,1-5H3;7-8H2,1-6H3;4-7H,8-9H2,1-3H3;6-8H,9H2,1-5H3;4-8H,9H2,1-3H3;4-7H,1-3H3;1-6H3;5H,1,6H2,2-4H3;4H2,1-3H3/b;;;19-18+;;;;;;;;;
InChIKeyMKTFLKSXYLSFOV-RODHOTOISA-N
XLogP44.25
TPSA520.95 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds31
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003156.35
LogP ≤ 544.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;1-tert-butylsulfonyl-4-nitrobenzene;(4,5-dimethoxy-2-nitrophenyl)methyl 2,2-dimethylpropanoate;2-(3,3-dimethylbutan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione;(2,2-dimethyl-1,1-diphenylpropyl)benzene;2,2-dimethyl-1-(4-phenyldiazenylphenyl)propan-1-one;1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;2-(4-nitrophenyl)sulfonylethyl 2,2-dimethylpropanoate;2-(4-phenylphenyl)propan-2-yl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,2-trichloroethyl 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2,2-dimethylpropanoate;tert-butylbenzene;tert-butyl 2,2-dimethylpropanoate;tert-butyl(trimethyl)silane;2,2-dimethylbutane;3,3-dimethylbutan-2-one;(2,2-dimethyl-1,1-diphenylpropyl)benzene;4,4-dimethylpent-1-ene;2,2-dimethylpropane;[4-(2,2-dimethylpropyl)phenyl]methanol;ethane;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,3,3-tetramethylbutane;2-trimethylsilylethyl 2-methylpropanoate
CID 167667093
N-[(2R)-3-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-1-oxo-1-prop-2-enoxypropan-2-yl]-1-(9H-fluoren-9-ylmethoxy)methanimidate
CID 146031108
3-(2,4-dimethoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
CID 171703060
(4,5-dimethoxy-2-nitrophenyl)methyl 4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carboxylate
CID 3599416
(4,5-dimethoxy-2-nitrophenyl)methyl (4-nitro-2-phenylphenyl) carbonate
CID 140565227
tert-butyl 2-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]-2-[(4-nitrophenyl)methyl]aziridin-1-ium-1-yl]acetate
CID 102134797
1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-4-(2-nitrophenyl)sulfonyloxolan-2-yl]-3-[(2,4-dimethoxyphenyl)methyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-1-ium-2,4-dione
CID 87391474
3-(9H-fluoren-9-ylmethoxycarbonyl)-17-methoxy-11-(2-nitrophenyl)sulfonyl-7-prop-2-enoxycarbonyl-3,7,11-triazabicyclo[11.3.1]heptadeca-1(17),13,15-triene-15-carboxylic acid
CID 102132450
(2S)-2-[(2,4-dimethoxyphenyl)methyl-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-prop-2-enoxybutanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 46910280
benzyl 2-methylpropanoate;butyl 2-methylpropanoate;tert-butyl 2-methylpropanoate;2,3-dimethylbut-2-ene;ethenyl 2-methylpropanoate;ethyl 2-methylpropanoate;9H-fluoren-9-ylmethyl 2-methylpropanoate;methane;(2-nitrophenyl)methyl 2-methylpropanoate
CID 158282675
(4,5-dimethoxy-2-nitrophenyl)methyl 2-methylbutan-2-yl carbonate
CID 170387678
benzyl 2-methyl-3-(4-nitrophenoxy)carbonyloxy-2-[(4-nitrophenoxy)carbonyloxymethyl]propanoate
CID 169049067

Frequently Asked Questions

What is the IUPAC name of benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;1-tert-butylsulfonyl-4-nitrobenzene;(4,5-dimethoxy-2-nitrophenyl)methyl 2,2-dimethylpropanoate;2-(3,3-dimethylbutan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione;(2,2-dimethyl-1,1-diphenylpropyl)benzene;2,2-dimethyl-1-(4-phenyldiazenylphenyl)propan-1-one;1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;2-(4-nitrophenyl)sulfonylethyl 2,2-dimethylpropanoate;2-(4-phenylphenyl)propan-2-yl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,2-trichloroethyl 2,2-dimethylpropanoate?
The IUPAC name of benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;1-tert-butylsulfonyl-4-nitrobenzene;(4,5-dimethoxy-2-nitrophenyl)methyl 2,2-dimethylpropanoate;2-(3,3-dimethylbutan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione;(2,2-dimethyl-1,1-diphenylpropyl)benzene;2,2-dimethyl-1-(4-phenyldiazenylphenyl)propan-1-one;1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;2-(4-nitrophenyl)sulfonylethyl 2,2-dimethylpropanoate;2-(4-phenylphenyl)propan-2-yl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,2-trichloroethyl 2,2-dimethylpropanoate (CID 159595240) is benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;1-tert-butylsulfonyl-4-nitrobenzene;(4,5-dimethoxy-2-nitrophenyl)methyl 2,2-dimethylpropanoate;2-(3,3-dimethylbutan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione;(2,2-dimethyl-1,1-diphenylpropyl)benzene;2,2-dimethyl-1-(4-phenyldiazenylphenyl)propan-1-one;1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;2-(4-nitrophenyl)sulfonylethyl 2,2-dimethylpropanoate;2-(4-phenylphenyl)propan-2-yl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,2-trichloroethyl 2,2-dimethylpropanoate.
What is the SMILES notation for benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;1-tert-butylsulfonyl-4-nitrobenzene;(4,5-dimethoxy-2-nitrophenyl)methyl 2,2-dimethylpropanoate;2-(3,3-dimethylbutan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione;(2,2-dimethyl-1,1-diphenylpropyl)benzene;2,2-dimethyl-1-(4-phenyldiazenylphenyl)propan-1-one;1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;2-(4-nitrophenyl)sulfonylethyl 2,2-dimethylpropanoate;2-(4-phenylphenyl)propan-2-yl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,2-trichloroethyl 2,2-dimethylpropanoate?
The canonical SMILES for benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;1-tert-butylsulfonyl-4-nitrobenzene;(4,5-dimethoxy-2-nitrophenyl)methyl 2,2-dimethylpropanoate;2-(3,3-dimethylbutan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione;(2,2-dimethyl-1,1-diphenylpropyl)benzene;2,2-dimethyl-1-(4-phenyldiazenylphenyl)propan-1-one;1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;2-(4-nitrophenyl)sulfonylethyl 2,2-dimethylpropanoate;2-(4-phenylphenyl)propan-2-yl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,2-trichloroethyl 2,2-dimethylpropanoate is C=CCOC(=O)C(C)(C)C.CC(=C1C(=O)CC(C)(C)CC1=O)C(C)(C)C.CC(C)(C)C(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)C(=O)OCC(Cl)(Cl)Cl.CC(C)(C)C(=O)OCC1c2ccccc2-c2ccccc21.CC(C)(C)C(=O)OCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1.CC(C)(C)C(=O)OCc1ccccc1.CC(C)(C)C(=O)c1ccc(/N=N/c2ccccc2)cc1.CC(C)(C)C(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)(C)OC(=O)C(C)(C)C.CC(C)(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.COc1cc(COC(=O)C(C)(C)C)c([N+](=O)[O-])cc1OC.COc1ccc(CC(C)(C)C)c(OC)c1.
What is the InChIKey of benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;1-tert-butylsulfonyl-4-nitrobenzene;(4,5-dimethoxy-2-nitrophenyl)methyl 2,2-dimethylpropanoate;2-(3,3-dimethylbutan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione;(2,2-dimethyl-1,1-diphenylpropyl)benzene;2,2-dimethyl-1-(4-phenyldiazenylphenyl)propan-1-one;1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;2-(4-nitrophenyl)sulfonylethyl 2,2-dimethylpropanoate;2-(4-phenylphenyl)propan-2-yl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,2-trichloroethyl 2,2-dimethylpropanoate?
The InChIKey is MKTFLKSXYLSFOV-RODHOTOISA-N. The full InChI is InChI=1S/C23H24.C20H24O2.C19H20O2.C17H18N2O.C14H19NO6.C14H22O2.C13H17NO6S.C13H20O2.C12H16O2.C10H13NO4S.C9H18O2.C8H14O2.C7H11Cl3O2/c1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;1-19(2,3)18(21)22-20(4,5)17-13-11-16(12-14-17)15-9-7-6-8-10-15;1-19(2,3)18(20)21-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-17(2,3)16(20)13-9-11-15(12-10-13)19-18-14-7-5-4-6-8-14;1-14(2,3)13(16)21-8-9-6-11(19-4)12(20-5)7-10(9)15(17)18;1-9(13(2,3)4)12-10(15)7-14(5,6)8-11(12)16;1-13(2,3)12(15)20-8-9-21(18,19)11-6-4-10(5-7-11)14(16)17;1-13(2,3)9-10-6-7-11(14-4)8-12(10)15-5;1-12(2,3)11(13)14-9-10-7-5-4-6-8-10;1-10(2,3)16(14,15)9-6-4-8(5-7-9)11(12)13;1-8(2,3)7(10)11-9(4,5)6;1-5-6-10-7(9)8(2,3)4;1-6(2,3)5(11)12-4-7(8,9)10/h4-18H,1-3H3;6-14H,1-5H3;4-11,17H,12H2,1-3H3;4-12H,1-3H3;6-7H,8H2,1-5H3;7-8H2,1-6H3;4-7H,8-9H2,1-3H3;6-8H,9H2,1-5H3;4-8H,9H2,1-3H3;4-7H,1-3H3;1-6H3;5H,1,6H2,2-4H3;4H2,1-3H3/b;;;19-18+;;;;;;;;;.
What are the key properties of benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;1-tert-butylsulfonyl-4-nitrobenzene;(4,5-dimethoxy-2-nitrophenyl)methyl 2,2-dimethylpropanoate;2-(3,3-dimethylbutan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione;(2,2-dimethyl-1,1-diphenylpropyl)benzene;2,2-dimethyl-1-(4-phenyldiazenylphenyl)propan-1-one;1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;2-(4-nitrophenyl)sulfonylethyl 2,2-dimethylpropanoate;2-(4-phenylphenyl)propan-2-yl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,2-trichloroethyl 2,2-dimethylpropanoate?
benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;1-tert-butylsulfonyl-4-nitrobenzene;(4,5-dimethoxy-2-nitrophenyl)methyl 2,2-dimethylpropanoate;2-(3,3-dimethylbutan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione;(2,2-dimethyl-1,1-diphenylpropyl)benzene;2,2-dimethyl-1-(4-phenyldiazenylphenyl)propan-1-one;1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;2-(4-nitrophenyl)sulfonylethyl 2,2-dimethylpropanoate;2-(4-phenylphenyl)propan-2-yl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,2-trichloroethyl 2,2-dimethylpropanoate has a molecular weight of 3156.35 g/mol, XLogP of 44.25, 31 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,2-dimethylpropanoate;tert-butyl 2,2-dimethylpropanoate;1-tert-butylsulfonyl-4-nitrobenzene;(4,5-dimethoxy-2-nitrophenyl)methyl 2,2-dimethylpropanoate;2-(3,3-dimethylbutan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione;(2,2-dimethyl-1,1-diphenylpropyl)benzene;2,2-dimethyl-1-(4-phenyldiazenylphenyl)propan-1-one;1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;9H-fluoren-9-ylmethyl 2,2-dimethylpropanoate;2-(4-nitrophenyl)sulfonylethyl 2,2-dimethylpropanoate;2-(4-phenylphenyl)propan-2-yl 2,2-dimethylpropanoate;prop-2-enyl 2,2-dimethylpropanoate;2,2,2-trichloroethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 159595240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).