2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;bicyclo[2.2.1]heptane;tert-butyl 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate

C217H374O24 — CID 162048693

IUPAC2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;bicyclo[2.2.1]heptane;tert-butyl 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate
SMILESC1CC2CCC1C2.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(C)C1CCCC1.CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OC(C)(CC)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(CC)C1CCCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(C)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(C)CC2CC1C1CCCC21.CCC(C)(C)C(=O)OC1(C)CCCC2CCCCC21.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCCCC(C)(OC(=O)C(C)(C)CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H38O2.C21H34O2.C20H32O2.C20H34O2.C19H30O2.C19H32O2.C17H28O2.C17H30O2.C16H30O2.C15H28O2.C14H26O2.C10H20O2.C7H12/c1-6-8-9-21(5,24-19(23)20(3,4)7-2)22-13-16-10-17(14-22)12-18(11-16)15-22;1-6-20(4,5)19(22)23-21(12(2)3)11-15-10-16(21)18-14-8-7-13(9-14)17(15)18;1-5-19(3,4)18(21)22-20(6-2)11-14-10-15(20)17-13-8-7-12(9-13)16(14)17;1-6-18(3,4)17(21)22-19(5,7-2)20-11-14-8-15(12-20)10-16(9-14)13-20;1-5-18(2,3)17(20)21-19(4)10-13-9-14(19)16-12-7-6-11(8-12)15(13)16;1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-5-16(2,3)15(18)19-17(4)10-11-9-14(17)13-8-6-7-12(11)13;1-5-16(2,3)15(18)19-17(4)12-8-10-13-9-6-7-11-14(13)17;1-6-15(3,4)14(17)18-16(5,7-2)13-11-9-8-10-12-13;1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-6-13(2,3)12(15)16-14(4,5)11-9-7-8-10-11;1-7-10(5,6)8(11)12-9(2,3)4;1-2-7-4-3-6(1)5-7/h16-18H,6-15H2,1-5H3;12-18H,6-11H2,1-5H3;12-17H,5-11H2,1-4H3;14-16H,6-13H2,1-5H3;11-16H,5-10H2,1-4H3;13-15H,6-12H2,1-5H3;11-14H,5-10H2,1-4H3;13-14H,5-12H2,1-4H3;13H,6-12H2,1-5H3;12H,6-11H2,1-5H3;11H,6-10H2,1-5H3;7H2,1-6H3;6-7H,1-5H2
InChIKeyYYGHXEGVCFESEP-UHFFFAOYSA-N
MW3367.35 g/mol
LogP57.58
Rot. Bonds48

About 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;bicyclo[2.2.1]heptane;tert-butyl 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate

2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;bicyclo[2.2.1]heptane;tert-butyl 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate (PubChem CID 162048693) has the molecular formula C217H374O24 and a molecular weight of 3367.35 g/mol. Its IUPAC name is 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;bicyclo[2.2.1]heptane;tert-butyl 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;bicyclo[2.2.1]heptane;tert-butyl 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate
PubChem CID162048693
Molecular FormulaC217H374O24
Molecular Weight3367.35 g/mol
Exact Mass3364.80
IUPAC Name2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;bicyclo[2.2.1]heptane;tert-butyl 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate
SMILESC1CC2CCC1C2.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(C)C1CCCC1.CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OC(C)(CC)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(CC)C1CCCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(C)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(C)CC2CC1C1CCCC21.CCC(C)(C)C(=O)OC1(C)CCCC2CCCCC21.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCCCC(C)(OC(=O)C(C)(C)CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H38O2.C21H34O2.C20H32O2.C20H34O2.C19H30O2.C19H32O2.C17H28O2.C17H30O2.C16H30O2.C15H28O2.C14H26O2.C10H20O2.C7H12/c1-6-8-9-21(5,24-19(23)20(3,4)7-2)22-13-16-10-17(14-22)12-18(11-16)15-22;1-6-20(4,5)19(22)23-21(12(2)3)11-15-10-16(21)18-14-8-7-13(9-14)17(15)18;1-5-19(3,4)18(21)22-20(6-2)11-14-10-15(20)17-13-8-7-12(9-13)16(14)17;1-6-18(3,4)17(21)22-19(5,7-2)20-11-14-8-15(12-20)10-16(9-14)13-20;1-5-18(2,3)17(20)21-19(4)10-13-9-14(19)16-12-7-6-11(8-12)15(13)16;1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-5-16(2,3)15(18)19-17(4)10-11-9-14(17)13-8-6-7-12(11)13;1-5-16(2,3)15(18)19-17(4)12-8-10-13-9-6-7-11-14(13)17;1-6-15(3,4)14(17)18-16(5,7-2)13-11-9-8-10-12-13;1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-6-13(2,3)12(15)16-14(4,5)11-9-7-8-10-11;1-7-10(5,6)8(11)12-9(2,3)4;1-2-7-4-3-6(1)5-7/h16-18H,6-15H2,1-5H3;12-18H,6-11H2,1-5H3;12-17H,5-11H2,1-4H3;14-16H,6-13H2,1-5H3;11-16H,5-10H2,1-4H3;13-15H,6-12H2,1-5H3;11-14H,5-10H2,1-4H3;13-14H,5-12H2,1-4H3;13H,6-12H2,1-5H3;12H,6-11H2,1-5H3;11H,6-10H2,1-5H3;7H2,1-6H3;6-7H,1-5H2
InChIKeyYYGHXEGVCFESEP-UHFFFAOYSA-N
XLogP57.58
TPSA315.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds48
Heavy Atoms241
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003367.35
LogP ≤ 557.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;bicyclo[2.2.1]heptane;tert-butyl 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;bicyclo[2.2.1]heptane;tert-butyl 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate?
The IUPAC name of 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;bicyclo[2.2.1]heptane;tert-butyl 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate (CID 162048693) is 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;bicyclo[2.2.1]heptane;tert-butyl 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;bicyclo[2.2.1]heptane;tert-butyl 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate?
The canonical SMILES for 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;bicyclo[2.2.1]heptane;tert-butyl 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate is C1CC2CCC1C2.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(C)C1CCCC1.CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OC(C)(CC)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(CC)C1CCCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(C)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(C)CC2CC1C1CCCC21.CCC(C)(C)C(=O)OC1(C)CCCC2CCCCC21.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCCCC(C)(OC(=O)C(C)(C)CC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;bicyclo[2.2.1]heptane;tert-butyl 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate?
The InChIKey is YYGHXEGVCFESEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2.C21H34O2.C20H32O2.C20H34O2.C19H30O2.C19H32O2.C17H28O2.C17H30O2.C16H30O2.C15H28O2.C14H26O2.C10H20O2.C7H12/c1-6-8-9-21(5,24-19(23)20(3,4)7-2)22-13-16-10-17(14-22)12-18(11-16)15-22;1-6-20(4,5)19(22)23-21(12(2)3)11-15-10-16(21)18-14-8-7-13(9-14)17(15)18;1-5-19(3,4)18(21)22-20(6-2)11-14-10-15(20)17-13-8-7-12(9-13)16(14)17;1-6-18(3,4)17(21)22-19(5,7-2)20-11-14-8-15(12-20)10-16(9-14)13-20;1-5-18(2,3)17(20)21-19(4)10-13-9-14(19)16-12-7-6-11(8-12)15(13)16;1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-5-16(2,3)15(18)19-17(4)10-11-9-14(17)13-8-6-7-12(11)13;1-5-16(2,3)15(18)19-17(4)12-8-10-13-9-6-7-11-14(13)17;1-6-15(3,4)14(17)18-16(5,7-2)13-11-9-8-10-12-13;1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-6-13(2,3)12(15)16-14(4,5)11-9-7-8-10-11;1-7-10(5,6)8(11)12-9(2,3)4;1-2-7-4-3-6(1)5-7/h16-18H,6-15H2,1-5H3;12-18H,6-11H2,1-5H3;12-17H,5-11H2,1-4H3;14-16H,6-13H2,1-5H3;11-16H,5-10H2,1-4H3;13-15H,6-12H2,1-5H3;11-14H,5-10H2,1-4H3;13-14H,5-12H2,1-4H3;13H,6-12H2,1-5H3;12H,6-11H2,1-5H3;11H,6-10H2,1-5H3;7H2,1-6H3;6-7H,1-5H2.
What are the key properties of 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;bicyclo[2.2.1]heptane;tert-butyl 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate?
2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;bicyclo[2.2.1]heptane;tert-butyl 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate has a molecular weight of 3367.35 g/mol, XLogP of 57.58, 48 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)hexan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;bicyclo[2.2.1]heptane;tert-butyl 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 162048693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).