1-(2-adamantylmethoxy)ethyl 2,2-dimethylbutanoate;1-(2-adamantyloxy)ethyl 2,2-dimethylbutanoate;tetrakis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;1,2-dimethyl-2,3-dihydro-1H-indene;octan-4-yl 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;1-propan-2-yloxypropyl 2,2-dimethylbutanoate

C151H237F3O24 — CID 157149349

IUPAC1-(2-adamantylmethoxy)ethyl 2,2-dimethylbutanoate;1-(2-adamantyloxy)ethyl 2,2-dimethylbutanoate;tetrakis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;1,2-dimethyl-2,3-dihydro-1H-indene;octan-4-yl 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;1-propan-2-yloxypropyl 2,2-dimethylbutanoate
SMILESCC1Cc2ccccc2C1C.CCC(C)(C)C(=O)OC(C)OC1C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC(C)OCC1C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(OC(=O)C(C)(C)CC)OC(C)C.CCCCC(CCC)OC(=O)C(C)(C)CC
InChIInChI=1S/C19H32O3.C18H30O3.C14H20O4.C14H28O2.C13H17F3O.C12H24O3.C11H14.C10H16O4.4C10H14O/c1-5-19(3,4)18(20)22-12(2)21-11-17-15-7-13-6-14(9-15)10-16(17)8-13;1-5-18(3,4)17(19)21-11(2)20-16-14-7-12-6-13(9-14)10-15(16)8-12;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-6-9-11-12(10-7-2)16-13(15)14(4,5)8-3;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-7-10(14-9(3)4)15-11(13)12(5,6)8-2;1-8-7-10-5-3-4-6-11(10)9(8)2;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;4*1-3-8(2)9-4-6-10(11)7-5-9/h12-17H,5-11H2,1-4H3;11-16H,5-10H2,1-4H3;7-11H,4-6H2,1-3H3;12H,6-11H2,1-5H3;5-9,17H,4H2,1-3H3;9-10H,7-8H2,1-6H3;3-6,8-9H,7H2,1-2H3;7H,4-6H2,1-3H3;4*4-8,11H,3H2,1-2H3
InChIKeyALBPGRLAQZUXFO-UHFFFAOYSA-N
MW2493.53 g/mol
LogP37.78
Rot. Bonds42

About 1-(2-adamantylmethoxy)ethyl 2,2-dimethylbutanoate;1-(2-adamantyloxy)ethyl 2,2-dimethylbutanoate;tetrakis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;1,2-dimethyl-2,3-dihydro-1H-indene;octan-4-yl 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;1-propan-2-yloxypropyl 2,2-dimethylbutanoate

1-(2-adamantylmethoxy)ethyl 2,2-dimethylbutanoate;1-(2-adamantyloxy)ethyl 2,2-dimethylbutanoate;tetrakis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;1,2-dimethyl-2,3-dihydro-1H-indene;octan-4-yl 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;1-propan-2-yloxypropyl 2,2-dimethylbutanoate (PubChem CID 157149349) has the molecular formula C151H237F3O24 and a molecular weight of 2493.53 g/mol. Its IUPAC name is 1-(2-adamantylmethoxy)ethyl 2,2-dimethylbutanoate;1-(2-adamantyloxy)ethyl 2,2-dimethylbutanoate;tetrakis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;1,2-dimethyl-2,3-dihydro-1H-indene;octan-4-yl 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;1-propan-2-yloxypropyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name1-(2-adamantylmethoxy)ethyl 2,2-dimethylbutanoate;1-(2-adamantyloxy)ethyl 2,2-dimethylbutanoate;tetrakis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;1,2-dimethyl-2,3-dihydro-1H-indene;octan-4-yl 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;1-propan-2-yloxypropyl 2,2-dimethylbutanoate
PubChem CID157149349
Molecular FormulaC151H237F3O24
Molecular Weight2493.53 g/mol
Exact Mass2491.73
IUPAC Name1-(2-adamantylmethoxy)ethyl 2,2-dimethylbutanoate;1-(2-adamantyloxy)ethyl 2,2-dimethylbutanoate;tetrakis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;1,2-dimethyl-2,3-dihydro-1H-indene;octan-4-yl 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;1-propan-2-yloxypropyl 2,2-dimethylbutanoate
SMILESCC1Cc2ccccc2C1C.CCC(C)(C)C(=O)OC(C)OC1C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC(C)OCC1C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(OC(=O)C(C)(C)CC)OC(C)C.CCCCC(CCC)OC(=O)C(C)(C)CC
InChIInChI=1S/C19H32O3.C18H30O3.C14H20O4.C14H28O2.C13H17F3O.C12H24O3.C11H14.C10H16O4.4C10H14O/c1-5-19(3,4)18(20)22-12(2)21-11-17-15-7-13-6-14(9-15)10-16(17)8-13;1-5-18(3,4)17(19)21-11(2)20-16-14-7-12-6-13(9-14)10-15(16)8-12;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-6-9-11-12(10-7-2)16-13(15)14(4,5)8-3;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-7-10(14-9(3)4)15-11(13)12(5,6)8-2;1-8-7-10-5-3-4-6-11(10)9(8)2;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;4*1-3-8(2)9-4-6-10(11)7-5-9/h12-17H,5-11H2,1-4H3;11-16H,5-10H2,1-4H3;7-11H,4-6H2,1-3H3;12H,6-11H2,1-5H3;5-9,17H,4H2,1-3H3;9-10H,7-8H2,1-6H3;3-6,8-9H,7H2,1-2H3;7H,4-6H2,1-3H3;4*4-8,11H,3H2,1-2H3
InChIKeyALBPGRLAQZUXFO-UHFFFAOYSA-N
XLogP37.78
TPSA339.24 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds42
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002493.53
LogP ≤ 537.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2-adamantylmethoxy)ethyl 2,2-dimethylbutanoate;1-(2-adamantyloxy)ethyl 2,2-dimethylbutanoate;tetrakis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;1,2-dimethyl-2,3-dihydro-1H-indene;octan-4-yl 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;1-propan-2-yloxypropyl 2,2-dimethylbutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantylmethoxy)ethyl 2,2-dimethylbutanoate;1-(2-adamantyloxy)ethyl 2,2-dimethylbutanoate;tetrakis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;1,2-dimethyl-2,3-dihydro-1H-indene;octan-4-yl 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;1-propan-2-yloxypropyl 2,2-dimethylbutanoate?
The IUPAC name of 1-(2-adamantylmethoxy)ethyl 2,2-dimethylbutanoate;1-(2-adamantyloxy)ethyl 2,2-dimethylbutanoate;tetrakis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;1,2-dimethyl-2,3-dihydro-1H-indene;octan-4-yl 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;1-propan-2-yloxypropyl 2,2-dimethylbutanoate (CID 157149349) is 1-(2-adamantylmethoxy)ethyl 2,2-dimethylbutanoate;1-(2-adamantyloxy)ethyl 2,2-dimethylbutanoate;tetrakis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;1,2-dimethyl-2,3-dihydro-1H-indene;octan-4-yl 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;1-propan-2-yloxypropyl 2,2-dimethylbutanoate.
What is the SMILES notation for 1-(2-adamantylmethoxy)ethyl 2,2-dimethylbutanoate;1-(2-adamantyloxy)ethyl 2,2-dimethylbutanoate;tetrakis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;1,2-dimethyl-2,3-dihydro-1H-indene;octan-4-yl 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;1-propan-2-yloxypropyl 2,2-dimethylbutanoate?
The canonical SMILES for 1-(2-adamantylmethoxy)ethyl 2,2-dimethylbutanoate;1-(2-adamantyloxy)ethyl 2,2-dimethylbutanoate;tetrakis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;1,2-dimethyl-2,3-dihydro-1H-indene;octan-4-yl 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;1-propan-2-yloxypropyl 2,2-dimethylbutanoate is CC1Cc2ccccc2C1C.CCC(C)(C)C(=O)OC(C)OC1C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC(C)OCC1C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(OC(=O)C(C)(C)CC)OC(C)C.CCCCC(CCC)OC(=O)C(C)(C)CC.
What is the InChIKey of 1-(2-adamantylmethoxy)ethyl 2,2-dimethylbutanoate;1-(2-adamantyloxy)ethyl 2,2-dimethylbutanoate;tetrakis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;1,2-dimethyl-2,3-dihydro-1H-indene;octan-4-yl 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;1-propan-2-yloxypropyl 2,2-dimethylbutanoate?
The InChIKey is ALBPGRLAQZUXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3.C18H30O3.C14H20O4.C14H28O2.C13H17F3O.C12H24O3.C11H14.C10H16O4.4C10H14O/c1-5-19(3,4)18(20)22-12(2)21-11-17-15-7-13-6-14(9-15)10-16(17)8-13;1-5-18(3,4)17(19)21-11(2)20-16-14-7-12-6-13(9-14)10-15(16)8-12;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-6-9-11-12(10-7-2)16-13(15)14(4,5)8-3;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-7-10(14-9(3)4)15-11(13)12(5,6)8-2;1-8-7-10-5-3-4-6-11(10)9(8)2;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;4*1-3-8(2)9-4-6-10(11)7-5-9/h12-17H,5-11H2,1-4H3;11-16H,5-10H2,1-4H3;7-11H,4-6H2,1-3H3;12H,6-11H2,1-5H3;5-9,17H,4H2,1-3H3;9-10H,7-8H2,1-6H3;3-6,8-9H,7H2,1-2H3;7H,4-6H2,1-3H3;4*4-8,11H,3H2,1-2H3.
What are the key properties of 1-(2-adamantylmethoxy)ethyl 2,2-dimethylbutanoate;1-(2-adamantyloxy)ethyl 2,2-dimethylbutanoate;tetrakis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;1,2-dimethyl-2,3-dihydro-1H-indene;octan-4-yl 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;1-propan-2-yloxypropyl 2,2-dimethylbutanoate?
1-(2-adamantylmethoxy)ethyl 2,2-dimethylbutanoate;1-(2-adamantyloxy)ethyl 2,2-dimethylbutanoate;tetrakis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;1,2-dimethyl-2,3-dihydro-1H-indene;octan-4-yl 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;1-propan-2-yloxypropyl 2,2-dimethylbutanoate has a molecular weight of 2493.53 g/mol, XLogP of 37.78, 42 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantylmethoxy)ethyl 2,2-dimethylbutanoate;1-(2-adamantyloxy)ethyl 2,2-dimethylbutanoate;tetrakis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;1,2-dimethyl-2,3-dihydro-1H-indene;octan-4-yl 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;1-propan-2-yloxypropyl 2,2-dimethylbutanoate is sourced from PubChem (CID 157149349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).