[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;methane;6-methyl-4-propyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate

C122H206F12O21 — CID 161202086

IUPAC[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;methane;6-methyl-4-propyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate
SMILESC.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)(C)C(=O)OC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.CCCC1CC(C)C2C3CC(C(=O)O)C(C3)C12.CCCC1CC(C)C2C3CC(C(=O)OC4(CC)CCCC4)C(C3)C12.CCCC1OC(C)C2COC(=O)C12
InChIInChI=1S/C22H36O2.C20H32O2.C18H22F12O4.C16H26O3.C15H24O2.C13H18O5.C10H16O3.8CH4/c1-4-8-15-11-14(3)19-16-12-17(20(15)19)18(13-16)21(23)24-22(5-2)9-6-7-10-22;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;1-4-12(2,3)11(31)34-10-6-8(13(32,15(19,20)21)16(22,23)24)5-9(7-10)14(33,17(25,26)27)18(28,29)30;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-3-4-9-5-8(2)13-10-6-11(14(9)13)12(7-10)15(16)17;1-4-13(2,3)12(15)18-9-7-5-6-8(16-7)10(9)17-11(6)14;1-3-4-8-9-7(6(2)13-8)5-12-10(9)11;;;;;;;;/h14-20H,4-13H2,1-3H3;12-17H,5-11H2,1-4H3;8-10,32-33H,4-7H2,1-3H3;11-12,18H,4-10H2,1-3H3;8-14H,3-7H2,1-2H3,(H,16,17);6-10H,4-5H2,1-3H3;6-9H,3-5H2,1-2H3;8*1H4
InChIKeyUVCOMTUAOXLNOU-UHFFFAOYSA-N
MW2236.94 g/mol
LogP29.84
Rot. Bonds25

About [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;methane;6-methyl-4-propyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate

[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;methane;6-methyl-4-propyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate (PubChem CID 161202086) has the molecular formula C122H206F12O21 and a molecular weight of 2236.94 g/mol. Its IUPAC name is [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;methane;6-methyl-4-propyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;methane;6-methyl-4-propyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate
PubChem CID161202086
Molecular FormulaC122H206F12O21
Molecular Weight2236.94 g/mol
Exact Mass2235.49
IUPAC Name[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;methane;6-methyl-4-propyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate
SMILESC.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)(C)C(=O)OC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.CCCC1CC(C)C2C3CC(C(=O)O)C(C3)C12.CCCC1CC(C)C2C3CC(C(=O)OC4(CC)CCCC4)C(C3)C12.CCCC1OC(C)C2COC(=O)C12
InChIInChI=1S/C22H36O2.C20H32O2.C18H22F12O4.C16H26O3.C15H24O2.C13H18O5.C10H16O3.8CH4/c1-4-8-15-11-14(3)19-16-12-17(20(15)19)18(13-16)21(23)24-22(5-2)9-6-7-10-22;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;1-4-12(2,3)11(31)34-10-6-8(13(32,15(19,20)21)16(22,23)24)5-9(7-10)14(33,17(25,26)27)18(28,29)30;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-3-4-9-5-8(2)13-10-6-11(14(9)13)12(7-10)15(16)17;1-4-13(2,3)12(15)18-9-7-5-6-8(16-7)10(9)17-11(6)14;1-3-4-8-9-7(6(2)13-8)5-12-10(9)11;;;;;;;;/h14-20H,4-13H2,1-3H3;12-17H,5-11H2,1-4H3;8-10,32-33H,4-7H2,1-3H3;11-12,18H,4-10H2,1-3H3;8-14H,3-7H2,1-2H3,(H,16,17);6-10H,4-5H2,1-3H3;6-9H,3-5H2,1-2H3;8*1H4
InChIKeyUVCOMTUAOXLNOU-UHFFFAOYSA-N
XLogP29.84
TPSA300.55 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002236.94
LogP ≤ 529.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;methane;6-methyl-4-propyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate with MolForge

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Related Compounds

bis([3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,2-dimethylbutanoate
CID 160728992
(2-ethyl-2-adamantyl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);methane;bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)
CID 157484282
3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylic acid;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate
CID 91341262
(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate
CID 91128936
2-adamantyloxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2-methylbutanoate;methane;tris((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)
CID 158159081
[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;tris((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;tris((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)
CID 157482281
(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 157300808
(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-(5-hydroxynaphthalen-1-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate
CID 91587249
bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-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
CID 159593636
bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);methane;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(1-propylcyclopentyl) 2,2-dimethylbutanoate
CID 162062977
bis((1-cyclohexylcyclopentyl) 2,2-dimethylbutanoate);bis(2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)
CID 157402270
tert-butyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate
CID 165075647

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;methane;6-methyl-4-propyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate?
The IUPAC name of [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;methane;6-methyl-4-propyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate (CID 161202086) is [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;methane;6-methyl-4-propyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate.
What is the SMILES notation for [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;methane;6-methyl-4-propyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate?
The canonical SMILES for [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;methane;6-methyl-4-propyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate is C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)(C)C(=O)OC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.CCCC1CC(C)C2C3CC(C(=O)O)C(C3)C12.CCCC1CC(C)C2C3CC(C(=O)OC4(CC)CCCC4)C(C3)C12.CCCC1OC(C)C2COC(=O)C12.
What is the InChIKey of [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;methane;6-methyl-4-propyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate?
The InChIKey is UVCOMTUAOXLNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2.C20H32O2.C18H22F12O4.C16H26O3.C15H24O2.C13H18O5.C10H16O3.8CH4/c1-4-8-15-11-14(3)19-16-12-17(20(15)19)18(13-16)21(23)24-22(5-2)9-6-7-10-22;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;1-4-12(2,3)11(31)34-10-6-8(13(32,15(19,20)21)16(22,23)24)5-9(7-10)14(33,17(25,26)27)18(28,29)30;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-3-4-9-5-8(2)13-10-6-11(14(9)13)12(7-10)15(16)17;1-4-13(2,3)12(15)18-9-7-5-6-8(16-7)10(9)17-11(6)14;1-3-4-8-9-7(6(2)13-8)5-12-10(9)11;;;;;;;;/h14-20H,4-13H2,1-3H3;12-17H,5-11H2,1-4H3;8-10,32-33H,4-7H2,1-3H3;11-12,18H,4-10H2,1-3H3;8-14H,3-7H2,1-2H3,(H,16,17);6-10H,4-5H2,1-3H3;6-9H,3-5H2,1-2H3;8*1H4.
What are the key properties of [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;methane;6-methyl-4-propyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate?
[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;methane;6-methyl-4-propyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate has a molecular weight of 2236.94 g/mol, XLogP of 29.84, 25 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;methane;6-methyl-4-propyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-one;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 161202086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).