[cyclopentyl(phenyl)methyl] 2-methylbutanoate;1-(2,4-dimethylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-(4-methylphenyl)propyl 2,2-dimethylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2-methylbutanoate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;bis(1-phenylethyl 2-methylbutanoate);1-phenylethyl 2-methyl-2-(trifluoromethyl)butanoate;1-phenylpropyl 2-methylbutanoate

C205H288F3NO31 — CID 162175457

IUPAC[cyclopentyl(phenyl)methyl] 2-methylbutanoate;1-(2,4-dimethylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-(4-methylphenyl)propyl 2,2-dimethylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2-methylbutanoate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;bis(1-phenylethyl 2-methylbutanoate);1-phenylethyl 2-methyl-2-(trifluoromethyl)butanoate;1-phenylpropyl 2-methylbutanoate
SMILESCCC(C)(C#N)C(=O)OC(C)c1ccccc1.CCC(C)(C(=O)OC(C)c1ccccc1)C(F)(F)F.CCC(C)(C(=O)OC)C(=O)OC(C)c1ccccc1.CCC(C)(C)C(=O)OC(C)c1ccc(C)cc1C.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)C(=O)OC(C)c1ccc(OC)cc1.CCC(C)C(=O)OC(C)c1ccccc1.CCC(C)C(=O)OC(C)c1ccccc1.CCC(C)C(=O)OC(CC)c1ccc(C)cc1.CCC(C)C(=O)OC(CC)c1ccccc1.CCC(C)C(=O)OC(c1ccccc1)C(C)C.CCC(C)C(=O)OC(c1ccccc1)C1CCCC1.CCC(OC(=O)C(C)(C)CC)c1ccc(C)cc1.CCCC(OC(=O)C(C)CC)c1ccccc1
InChIInChI=1S/C17H24O2.2C16H24O2.C15H20O4.3C15H22O2.C14H17F3O2.C14H17NO2.C14H20O3.2C14H20O2.2C13H18O2/c1-3-13(2)17(18)19-16(15-11-7-8-12-15)14-9-5-4-6-10-14;1-7-16(5,6)15(17)18-13(4)14-9-8-11(2)10-12(14)3;1-6-14(13-10-8-12(3)9-11-13)18-15(17)16(4,5)7-2;1-5-15(3,13(16)18-4)14(17)19-11(2)12-9-7-6-8-10-12;1-5-12(4)15(16)17-14(11(2)3)13-9-7-6-8-10-13;1-5-12(4)15(16)17-14(6-2)13-9-7-11(3)8-10-13;1-4-9-14(13-10-7-6-8-11-13)17-15(16)12(3)5-2;1-4-13(3,14(15,16)17)12(18)19-10(2)11-8-6-5-7-9-11;1-4-14(3,10-15)13(16)17-11(2)12-8-6-5-7-9-12;1-5-10(2)14(15)17-11(3)12-6-8-13(16-4)9-7-12;1-5-14(3,4)13(15)16-11(2)12-9-7-6-8-10-12;1-4-11(3)14(15)16-13(5-2)12-9-7-6-8-10-12;2*1-4-10(2)13(14)15-11(3)12-8-6-5-7-9-12/h4-6,9-10,13,15-16H,3,7-8,11-12H2,1-2H3;8-10,13H,7H2,1-6H3;8-11,14H,6-7H2,1-5H3;6-11H,5H2,1-4H3;6-12,14H,5H2,1-4H3;7-10,12,14H,5-6H2,1-4H3;6-8,10-12,14H,4-5,9H2,1-3H3;5-10H,4H2,1-3H3;5-9,11H,4H2,1-3H3;6-11H,5H2,1-4H3;6-11H,5H2,1-4H3;6-11,13H,4-5H2,1-3H3;2*5-11H,4H2,1-3H3
InChIKeyZOIKEZUMEZVPNJ-UHFFFAOYSA-N
MW3319.53 g/mol
LogP53.26
Rot. Bonds65

About [cyclopentyl(phenyl)methyl] 2-methylbutanoate;1-(2,4-dimethylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-(4-methylphenyl)propyl 2,2-dimethylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2-methylbutanoate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;bis(1-phenylethyl 2-methylbutanoate);1-phenylethyl 2-methyl-2-(trifluoromethyl)butanoate;1-phenylpropyl 2-methylbutanoate

[cyclopentyl(phenyl)methyl] 2-methylbutanoate;1-(2,4-dimethylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-(4-methylphenyl)propyl 2,2-dimethylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2-methylbutanoate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;bis(1-phenylethyl 2-methylbutanoate);1-phenylethyl 2-methyl-2-(trifluoromethyl)butanoate;1-phenylpropyl 2-methylbutanoate (PubChem CID 162175457) has the molecular formula C205H288F3NO31 and a molecular weight of 3319.53 g/mol. Its IUPAC name is [cyclopentyl(phenyl)methyl] 2-methylbutanoate;1-(2,4-dimethylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-(4-methylphenyl)propyl 2,2-dimethylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2-methylbutanoate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;bis(1-phenylethyl 2-methylbutanoate);1-phenylethyl 2-methyl-2-(trifluoromethyl)butanoate;1-phenylpropyl 2-methylbutanoate.

Molecular Properties

Compound Name[cyclopentyl(phenyl)methyl] 2-methylbutanoate;1-(2,4-dimethylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-(4-methylphenyl)propyl 2,2-dimethylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2-methylbutanoate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;bis(1-phenylethyl 2-methylbutanoate);1-phenylethyl 2-methyl-2-(trifluoromethyl)butanoate;1-phenylpropyl 2-methylbutanoate
PubChem CID162175457
Molecular FormulaC205H288F3NO31
Molecular Weight3319.53 g/mol
Exact Mass3317.09
IUPAC Name[cyclopentyl(phenyl)methyl] 2-methylbutanoate;1-(2,4-dimethylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-(4-methylphenyl)propyl 2,2-dimethylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2-methylbutanoate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;bis(1-phenylethyl 2-methylbutanoate);1-phenylethyl 2-methyl-2-(trifluoromethyl)butanoate;1-phenylpropyl 2-methylbutanoate
SMILESCCC(C)(C#N)C(=O)OC(C)c1ccccc1.CCC(C)(C(=O)OC(C)c1ccccc1)C(F)(F)F.CCC(C)(C(=O)OC)C(=O)OC(C)c1ccccc1.CCC(C)(C)C(=O)OC(C)c1ccc(C)cc1C.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)C(=O)OC(C)c1ccc(OC)cc1.CCC(C)C(=O)OC(C)c1ccccc1.CCC(C)C(=O)OC(C)c1ccccc1.CCC(C)C(=O)OC(CC)c1ccc(C)cc1.CCC(C)C(=O)OC(CC)c1ccccc1.CCC(C)C(=O)OC(c1ccccc1)C(C)C.CCC(C)C(=O)OC(c1ccccc1)C1CCCC1.CCC(OC(=O)C(C)(C)CC)c1ccc(C)cc1.CCCC(OC(=O)C(C)CC)c1ccccc1
InChIInChI=1S/C17H24O2.2C16H24O2.C15H20O4.3C15H22O2.C14H17F3O2.C14H17NO2.C14H20O3.2C14H20O2.2C13H18O2/c1-3-13(2)17(18)19-16(15-11-7-8-12-15)14-9-5-4-6-10-14;1-7-16(5,6)15(17)18-13(4)14-9-8-11(2)10-12(14)3;1-6-14(13-10-8-12(3)9-11-13)18-15(17)16(4,5)7-2;1-5-15(3,13(16)18-4)14(17)19-11(2)12-9-7-6-8-10-12;1-5-12(4)15(16)17-14(11(2)3)13-9-7-6-8-10-13;1-5-12(4)15(16)17-14(6-2)13-9-7-11(3)8-10-13;1-4-9-14(13-10-7-6-8-11-13)17-15(16)12(3)5-2;1-4-13(3,14(15,16)17)12(18)19-10(2)11-8-6-5-7-9-11;1-4-14(3,10-15)13(16)17-11(2)12-8-6-5-7-9-12;1-5-10(2)14(15)17-11(3)12-6-8-13(16-4)9-7-12;1-5-14(3,4)13(15)16-11(2)12-9-7-6-8-10-12;1-4-11(3)14(15)16-13(5-2)12-9-7-6-8-10-12;2*1-4-10(2)13(14)15-11(3)12-8-6-5-7-9-12/h4-6,9-10,13,15-16H,3,7-8,11-12H2,1-2H3;8-10,13H,7H2,1-6H3;8-11,14H,6-7H2,1-5H3;6-11H,5H2,1-4H3;6-12,14H,5H2,1-4H3;7-10,12,14H,5-6H2,1-4H3;6-8,10-12,14H,4-5,9H2,1-3H3;5-10H,4H2,1-3H3;5-9,11H,4H2,1-3H3;6-11H,5H2,1-4H3;6-11H,5H2,1-4H3;6-11,13H,4-5H2,1-3H3;2*5-11H,4H2,1-3H3
InChIKeyZOIKEZUMEZVPNJ-UHFFFAOYSA-N
XLogP53.26
TPSA427.52 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds65
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003319.53
LogP ≤ 553.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [cyclopentyl(phenyl)methyl] 2-methylbutanoate;1-(2,4-dimethylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-(4-methylphenyl)propyl 2,2-dimethylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2-methylbutanoate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;bis(1-phenylethyl 2-methylbutanoate);1-phenylethyl 2-methyl-2-(trifluoromethyl)butanoate;1-phenylpropyl 2-methylbutanoate with MolForge

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Related Compounds

[cyclohexyl(phenyl)methyl] 2,2-dimethylbutanoate;[cyclohexyl(phenyl)methyl] 2-methylbutanoate;[cyclopentyl(phenyl)methyl] 2,2-dimethylbutanoate;[cyclopentyl(phenyl)methyl] 2-methylbutanoate;methane;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-phenylbutyl 2,2-dimethylbutanoate;1-phenylbutyl 2-methylbutanoate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate
CID 158018493
[cyclohexyl(phenyl)methyl] 2,2-dimethylbutanoate;[cyclohexyl(phenyl)methyl] 2-methylbutanoate;[cyclopentyl(phenyl)methyl] 2,2-dimethylbutanoate;methane;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2-methylbutanoate;1-phenylethyl 2-methyl-2-(trifluoromethyl)butanoate
CID 157422662
[cyclohexyl(phenyl)methyl] 2,2-dimethylbutanoate;[cyclohexyl(phenyl)methyl] 2-methylbutanoate;[cyclopentyl(phenyl)methyl] 2,2-dimethylbutanoate;[cyclopentyl(phenyl)methyl] 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2,2-dimethylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2,2-dimethylbutanoate;1-phenylbutyl 2-methylbutanoate
CID 161278693
[cyclohexyl-(4-methylphenyl)methyl] 2-methylbutanoate
CID 59254174
2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;2,3-dihydro-1H-inden-1-yl 2-methylbutanoate;methane;1-[4-(4-methylphenyl)phenyl]ethyl 2,2-dimethylbutanoate;1-[4-(4-methylphenyl)phenyl]ethyl 2-methylbutanoate;1-(4-phenylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-phenylphenyl)ethyl 2-methylbutanoate;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;1,2,3,4-tetrahydronaphthalen-1-yl 2-methylbutanoate
CID 159676238
2-cyclohexylpropan-2-yl 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate;(1-ethylcyclohexyl) 3-butan-2-ylbenzoate;methane;(1-methylcyclohexyl) 3-butan-2-ylbenzoate;(1-methylcyclopentyl) 3-butan-2-ylbenzoate;1-(4-methylphenyl)ethyl 2-methylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-phenylethyl 2-methylbutanoate
CID 159899299
benzhydryl 2,2-dimethylbutanoate;benzhydryl 2-methylbutanoate;9H-fluoren-9-yl 2,2-dimethylbutanoate;1-(9H-fluoren-2-yl)ethyl 2,2-dimethylbutanoate;1-(9H-fluoren-2-yl)ethyl 2-methylbutanoate;methane;1-(6-methoxynaphthalen-2-yl)ethyl 2,2-dimethylbutanoate;1-(6-methoxynaphthalen-2-yl)ethyl 2-methylbutanoate
CID 159821449
2,3-dihydro-1H-inden-1-yl 2,2-dimethylbutanoate;2,3-dihydro-1H-inden-1-yl 2-methylbutanoate;2-(2,2-dimethyl-1-propylperoxybutyl)naphthalene;methane;1-(4-phenylphenyl)ethyl 2-methylbutanoate;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;1,2,3,4-tetrahydronaphthalen-1-yl 2-methylbutanoate
CID 158008746
1-O-[cyclohexyl-(4-methylphenyl)methyl] 3-O-methyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate
CID 58363856
1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-yl-2-methoxyphenol;tetrakis(4-butan-2-ylphenol);2,2-dimethylbutanamide;2,2-dimethylbutanenitrile;dodecyl 2,2-dimethylbutanoate;bis(1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate);tris(1-phenylethyl 2,2-dimethylbutanoate);N,N,2,2-tetramethylbutanamide
CID 158273743
methyl 2,2-dimethylbutanoate;phenyl 2-methylbutanoate;prop-1-ene
CID 159582066
1,1-bis(4-hydroxyphenyl)ethyl 2,2-dimethylbutanoate;1-butan-2-yl-4-[2-(4-methylphenyl)propan-2-yloxy]benzene;2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl 2-methylbutanoate;2-(2-hydroxy-3-methylphenyl)propan-2-yl 2-methylbutanoate;2-(4-hydroxyphenyl)butan-2-yl 2-cyano-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2-chloro-2-methylbutanoate;2-(4-hydroxyphenyl)propan-2-yl 2,2-dimethylbutanoate;2-[4-(oxan-2-yloxy)phenyl]propan-2-yl 2,2-dimethylbutanoate
CID 158506829

Frequently Asked Questions

What is the IUPAC name of [cyclopentyl(phenyl)methyl] 2-methylbutanoate;1-(2,4-dimethylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-(4-methylphenyl)propyl 2,2-dimethylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2-methylbutanoate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;bis(1-phenylethyl 2-methylbutanoate);1-phenylethyl 2-methyl-2-(trifluoromethyl)butanoate;1-phenylpropyl 2-methylbutanoate?
The IUPAC name of [cyclopentyl(phenyl)methyl] 2-methylbutanoate;1-(2,4-dimethylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-(4-methylphenyl)propyl 2,2-dimethylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2-methylbutanoate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;bis(1-phenylethyl 2-methylbutanoate);1-phenylethyl 2-methyl-2-(trifluoromethyl)butanoate;1-phenylpropyl 2-methylbutanoate (CID 162175457) is [cyclopentyl(phenyl)methyl] 2-methylbutanoate;1-(2,4-dimethylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-(4-methylphenyl)propyl 2,2-dimethylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2-methylbutanoate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;bis(1-phenylethyl 2-methylbutanoate);1-phenylethyl 2-methyl-2-(trifluoromethyl)butanoate;1-phenylpropyl 2-methylbutanoate.
What is the SMILES notation for [cyclopentyl(phenyl)methyl] 2-methylbutanoate;1-(2,4-dimethylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-(4-methylphenyl)propyl 2,2-dimethylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2-methylbutanoate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;bis(1-phenylethyl 2-methylbutanoate);1-phenylethyl 2-methyl-2-(trifluoromethyl)butanoate;1-phenylpropyl 2-methylbutanoate?
The canonical SMILES for [cyclopentyl(phenyl)methyl] 2-methylbutanoate;1-(2,4-dimethylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-(4-methylphenyl)propyl 2,2-dimethylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2-methylbutanoate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;bis(1-phenylethyl 2-methylbutanoate);1-phenylethyl 2-methyl-2-(trifluoromethyl)butanoate;1-phenylpropyl 2-methylbutanoate is CCC(C)(C#N)C(=O)OC(C)c1ccccc1.CCC(C)(C(=O)OC(C)c1ccccc1)C(F)(F)F.CCC(C)(C(=O)OC)C(=O)OC(C)c1ccccc1.CCC(C)(C)C(=O)OC(C)c1ccc(C)cc1C.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)C(=O)OC(C)c1ccc(OC)cc1.CCC(C)C(=O)OC(C)c1ccccc1.CCC(C)C(=O)OC(C)c1ccccc1.CCC(C)C(=O)OC(CC)c1ccc(C)cc1.CCC(C)C(=O)OC(CC)c1ccccc1.CCC(C)C(=O)OC(c1ccccc1)C(C)C.CCC(C)C(=O)OC(c1ccccc1)C1CCCC1.CCC(OC(=O)C(C)(C)CC)c1ccc(C)cc1.CCCC(OC(=O)C(C)CC)c1ccccc1.
What is the InChIKey of [cyclopentyl(phenyl)methyl] 2-methylbutanoate;1-(2,4-dimethylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-(4-methylphenyl)propyl 2,2-dimethylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2-methylbutanoate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;bis(1-phenylethyl 2-methylbutanoate);1-phenylethyl 2-methyl-2-(trifluoromethyl)butanoate;1-phenylpropyl 2-methylbutanoate?
The InChIKey is ZOIKEZUMEZVPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2.2C16H24O2.C15H20O4.3C15H22O2.C14H17F3O2.C14H17NO2.C14H20O3.2C14H20O2.2C13H18O2/c1-3-13(2)17(18)19-16(15-11-7-8-12-15)14-9-5-4-6-10-14;1-7-16(5,6)15(17)18-13(4)14-9-8-11(2)10-12(14)3;1-6-14(13-10-8-12(3)9-11-13)18-15(17)16(4,5)7-2;1-5-15(3,13(16)18-4)14(17)19-11(2)12-9-7-6-8-10-12;1-5-12(4)15(16)17-14(11(2)3)13-9-7-6-8-10-13;1-5-12(4)15(16)17-14(6-2)13-9-7-11(3)8-10-13;1-4-9-14(13-10-7-6-8-11-13)17-15(16)12(3)5-2;1-4-13(3,14(15,16)17)12(18)19-10(2)11-8-6-5-7-9-11;1-4-14(3,10-15)13(16)17-11(2)12-8-6-5-7-9-12;1-5-10(2)14(15)17-11(3)12-6-8-13(16-4)9-7-12;1-5-14(3,4)13(15)16-11(2)12-9-7-6-8-10-12;1-4-11(3)14(15)16-13(5-2)12-9-7-6-8-10-12;2*1-4-10(2)13(14)15-11(3)12-8-6-5-7-9-12/h4-6,9-10,13,15-16H,3,7-8,11-12H2,1-2H3;8-10,13H,7H2,1-6H3;8-11,14H,6-7H2,1-5H3;6-11H,5H2,1-4H3;6-12,14H,5H2,1-4H3;7-10,12,14H,5-6H2,1-4H3;6-8,10-12,14H,4-5,9H2,1-3H3;5-10H,4H2,1-3H3;5-9,11H,4H2,1-3H3;6-11H,5H2,1-4H3;6-11H,5H2,1-4H3;6-11,13H,4-5H2,1-3H3;2*5-11H,4H2,1-3H3.
What are the key properties of [cyclopentyl(phenyl)methyl] 2-methylbutanoate;1-(2,4-dimethylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-(4-methylphenyl)propyl 2,2-dimethylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2-methylbutanoate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;bis(1-phenylethyl 2-methylbutanoate);1-phenylethyl 2-methyl-2-(trifluoromethyl)butanoate;1-phenylpropyl 2-methylbutanoate?
[cyclopentyl(phenyl)methyl] 2-methylbutanoate;1-(2,4-dimethylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-(4-methylphenyl)propyl 2,2-dimethylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2-methylbutanoate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;bis(1-phenylethyl 2-methylbutanoate);1-phenylethyl 2-methyl-2-(trifluoromethyl)butanoate;1-phenylpropyl 2-methylbutanoate has a molecular weight of 3319.53 g/mol, XLogP of 53.26, 65 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopentyl(phenyl)methyl] 2-methylbutanoate;1-(2,4-dimethylphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-O-methyl 3-O-(1-phenylethyl) 2-ethyl-2-methylpropanedioate;1-(4-methylphenyl)propyl 2,2-dimethylbutanoate;1-(4-methylphenyl)propyl 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2-methylbutanoate;1-phenylethyl 2-cyano-2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;bis(1-phenylethyl 2-methylbutanoate);1-phenylethyl 2-methyl-2-(trifluoromethyl)butanoate;1-phenylpropyl 2-methylbutanoate is sourced from PubChem (CID 162175457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).