(4-butylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2,3-dimethylbicyclo[2.2.1]heptane;2,3-dimethyl-5-nonylbicyclo[2.2.1]heptane;4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;(1-ethylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;bis([6-(2-methylpropoxycarbonyl)-2-bicyclo[2.2.1]heptanyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate);(6-pentoxycarbonyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

C217H352O24 — CID 161183563

IUPAC(4-butylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2,3-dimethylbicyclo[2.2.1]heptane;2,3-dimethyl-5-nonylbicyclo[2.2.1]heptane;4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;(1-ethylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;bis([6-(2-methylpropoxycarbonyl)-2-bicyclo[2.2.1]heptanyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate);(6-pentoxycarbonyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC(C)COC(=O)C1CC2CC(OC(=O)C3CC4CC3C(C)C4C)C1C2.CC(C)COC(=O)C1CC2CC(OC(=O)C3CC4CC3C(C)C4C)C1C2.CC1C(C)C2CC1C1C3CCC(C3)C21.CC1C2CC(C(=O)OC3(C)C4CC5CC(C4)CC3C5)C(C2)C1C.CC1C2CC(C(=O)OC3(C)CC4CCC3C4)C(C2)C1C.CC1C2CC(C(=O)OC3(C)CCCC3)C(C2)C1C.CC1C2CC(C(=O)OC3(C)CCCCC3)C(C2)C1C.CC1C2CCC(C2)C1C.CCC1(OC(=O)C2CC3CC2C(C)C3C)CCCC1.CCCCC1CCC(OC(=O)C2CC3CC2C(C)C3C)CC1.CCCCCCCCCC1CC2CC1C(C)C2C.CCCCCOC(=O)C1CC2CC(OC(=O)C3CC4CC3C(C)C4C)C1C2
InChIInChI=1S/C23H36O4.2C22H34O4.C21H32O2.C20H34O2.C18H28O2.C18H34.2C17H28O2.C16H26O2.C14H22.C9H16/c1-4-5-6-7-26-22(24)19-9-15-8-18(19)21(10-15)27-23(25)20-12-16-11-17(20)14(3)13(16)2;2*1-11(2)10-25-21(23)18-6-14-5-17(18)20(7-14)26-22(24)19-9-15-8-16(19)13(4)12(15)3;1-11-12(2)18-9-15(11)10-19(18)20(22)23-21(3)16-5-13-4-14(7-16)8-17(21)6-13;1-4-5-6-15-7-9-17(10-8-15)22-20(21)19-12-16-11-18(19)14(3)13(16)2;1-10-11(2)15-7-13(10)8-16(15)17(19)20-18(3)9-12-4-5-14(18)6-12;1-4-5-6-7-8-9-10-11-16-12-17-13-18(16)15(3)14(17)2;1-11-12(2)14-9-13(11)10-15(14)16(18)19-17(3)7-5-4-6-8-17;1-4-17(7-5-6-8-17)19-16(18)15-10-13-9-14(15)12(3)11(13)2;1-10-11(2)13-8-12(10)9-14(13)15(17)18-16(3)6-4-5-7-16;1-7-8(2)12-6-11(7)13-9-3-4-10(5-9)14(12)13;1-6-7(2)9-4-3-8(6)5-9/h13-21H,4-12H2,1-3H3;2*11-20H,5-10H2,1-4H3;11-19H,4-10H2,1-3H3;13-19H,4-12H2,1-3H3;10-16H,4-9H2,1-3H3;14-18H,4-13H2,1-3H3;2*11-15H,4-10H2,1-3H3;10-14H,4-9H2,1-3H3;7-14H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3
InChIKeyUSUGTOQXZXYTDX-UHFFFAOYSA-N
MW3345.18 g/mol
LogP51.13
Rot. Bonds41

About (4-butylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2,3-dimethylbicyclo[2.2.1]heptane;2,3-dimethyl-5-nonylbicyclo[2.2.1]heptane;4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;(1-ethylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;bis([6-(2-methylpropoxycarbonyl)-2-bicyclo[2.2.1]heptanyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate);(6-pentoxycarbonyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

(4-butylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2,3-dimethylbicyclo[2.2.1]heptane;2,3-dimethyl-5-nonylbicyclo[2.2.1]heptane;4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;(1-ethylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;bis([6-(2-methylpropoxycarbonyl)-2-bicyclo[2.2.1]heptanyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate);(6-pentoxycarbonyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 161183563) has the molecular formula C217H352O24 and a molecular weight of 3345.18 g/mol. Its IUPAC name is (4-butylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2,3-dimethylbicyclo[2.2.1]heptane;2,3-dimethyl-5-nonylbicyclo[2.2.1]heptane;4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;(1-ethylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;bis([6-(2-methylpropoxycarbonyl)-2-bicyclo[2.2.1]heptanyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate);(6-pentoxycarbonyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name(4-butylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2,3-dimethylbicyclo[2.2.1]heptane;2,3-dimethyl-5-nonylbicyclo[2.2.1]heptane;4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;(1-ethylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;bis([6-(2-methylpropoxycarbonyl)-2-bicyclo[2.2.1]heptanyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate);(6-pentoxycarbonyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
PubChem CID161183563
Molecular FormulaC217H352O24
Molecular Weight3345.18 g/mol
Exact Mass3342.63
IUPAC Name(4-butylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2,3-dimethylbicyclo[2.2.1]heptane;2,3-dimethyl-5-nonylbicyclo[2.2.1]heptane;4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;(1-ethylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;bis([6-(2-methylpropoxycarbonyl)-2-bicyclo[2.2.1]heptanyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate);(6-pentoxycarbonyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC(C)COC(=O)C1CC2CC(OC(=O)C3CC4CC3C(C)C4C)C1C2.CC(C)COC(=O)C1CC2CC(OC(=O)C3CC4CC3C(C)C4C)C1C2.CC1C(C)C2CC1C1C3CCC(C3)C21.CC1C2CC(C(=O)OC3(C)C4CC5CC(C4)CC3C5)C(C2)C1C.CC1C2CC(C(=O)OC3(C)CC4CCC3C4)C(C2)C1C.CC1C2CC(C(=O)OC3(C)CCCC3)C(C2)C1C.CC1C2CC(C(=O)OC3(C)CCCCC3)C(C2)C1C.CC1C2CCC(C2)C1C.CCC1(OC(=O)C2CC3CC2C(C)C3C)CCCC1.CCCCC1CCC(OC(=O)C2CC3CC2C(C)C3C)CC1.CCCCCCCCCC1CC2CC1C(C)C2C.CCCCCOC(=O)C1CC2CC(OC(=O)C3CC4CC3C(C)C4C)C1C2
InChIInChI=1S/C23H36O4.2C22H34O4.C21H32O2.C20H34O2.C18H28O2.C18H34.2C17H28O2.C16H26O2.C14H22.C9H16/c1-4-5-6-7-26-22(24)19-9-15-8-18(19)21(10-15)27-23(25)20-12-16-11-17(20)14(3)13(16)2;2*1-11(2)10-25-21(23)18-6-14-5-17(18)20(7-14)26-22(24)19-9-15-8-16(19)13(4)12(15)3;1-11-12(2)18-9-15(11)10-19(18)20(22)23-21(3)16-5-13-4-14(7-16)8-17(21)6-13;1-4-5-6-15-7-9-17(10-8-15)22-20(21)19-12-16-11-18(19)14(3)13(16)2;1-10-11(2)15-7-13(10)8-16(15)17(19)20-18(3)9-12-4-5-14(18)6-12;1-4-5-6-7-8-9-10-11-16-12-17-13-18(16)15(3)14(17)2;1-11-12(2)14-9-13(11)10-15(14)16(18)19-17(3)7-5-4-6-8-17;1-4-17(7-5-6-8-17)19-16(18)15-10-13-9-14(15)12(3)11(13)2;1-10-11(2)13-8-12(10)9-14(13)15(17)18-16(3)6-4-5-7-16;1-7-8(2)12-6-11(7)13-9-3-4-10(5-9)14(12)13;1-6-7(2)9-4-3-8(6)5-9/h13-21H,4-12H2,1-3H3;2*11-20H,5-10H2,1-4H3;11-19H,4-10H2,1-3H3;13-19H,4-12H2,1-3H3;10-16H,4-9H2,1-3H3;14-18H,4-13H2,1-3H3;2*11-15H,4-10H2,1-3H3;10-14H,4-9H2,1-3H3;7-14H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3
InChIKeyUSUGTOQXZXYTDX-UHFFFAOYSA-N
XLogP51.13
TPSA315.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds41
Heavy Atoms241
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003345.18
LogP ≤ 551.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze (4-butylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2,3-dimethylbicyclo[2.2.1]heptane;2,3-dimethyl-5-nonylbicyclo[2.2.1]heptane;4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;(1-ethylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;bis([6-(2-methylpropoxycarbonyl)-2-bicyclo[2.2.1]heptanyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate);(6-pentoxycarbonyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2,3-dimethylbicyclo[2.2.1]heptane;2,3-dimethyl-5-nonylbicyclo[2.2.1]heptane;4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;(1-ethylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;bis([6-(2-methylpropoxycarbonyl)-2-bicyclo[2.2.1]heptanyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate);(6-pentoxycarbonyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of (4-butylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2,3-dimethylbicyclo[2.2.1]heptane;2,3-dimethyl-5-nonylbicyclo[2.2.1]heptane;4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;(1-ethylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;bis([6-(2-methylpropoxycarbonyl)-2-bicyclo[2.2.1]heptanyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate);(6-pentoxycarbonyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (CID 161183563) is (4-butylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2,3-dimethylbicyclo[2.2.1]heptane;2,3-dimethyl-5-nonylbicyclo[2.2.1]heptane;4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;(1-ethylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;bis([6-(2-methylpropoxycarbonyl)-2-bicyclo[2.2.1]heptanyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate);(6-pentoxycarbonyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for (4-butylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2,3-dimethylbicyclo[2.2.1]heptane;2,3-dimethyl-5-nonylbicyclo[2.2.1]heptane;4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;(1-ethylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;bis([6-(2-methylpropoxycarbonyl)-2-bicyclo[2.2.1]heptanyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate);(6-pentoxycarbonyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for (4-butylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2,3-dimethylbicyclo[2.2.1]heptane;2,3-dimethyl-5-nonylbicyclo[2.2.1]heptane;4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;(1-ethylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;bis([6-(2-methylpropoxycarbonyl)-2-bicyclo[2.2.1]heptanyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate);(6-pentoxycarbonyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is CC(C)COC(=O)C1CC2CC(OC(=O)C3CC4CC3C(C)C4C)C1C2.CC(C)COC(=O)C1CC2CC(OC(=O)C3CC4CC3C(C)C4C)C1C2.CC1C(C)C2CC1C1C3CCC(C3)C21.CC1C2CC(C(=O)OC3(C)C4CC5CC(C4)CC3C5)C(C2)C1C.CC1C2CC(C(=O)OC3(C)CC4CCC3C4)C(C2)C1C.CC1C2CC(C(=O)OC3(C)CCCC3)C(C2)C1C.CC1C2CC(C(=O)OC3(C)CCCCC3)C(C2)C1C.CC1C2CCC(C2)C1C.CCC1(OC(=O)C2CC3CC2C(C)C3C)CCCC1.CCCCC1CCC(OC(=O)C2CC3CC2C(C)C3C)CC1.CCCCCCCCCC1CC2CC1C(C)C2C.CCCCCOC(=O)C1CC2CC(OC(=O)C3CC4CC3C(C)C4C)C1C2.
What is the InChIKey of (4-butylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2,3-dimethylbicyclo[2.2.1]heptane;2,3-dimethyl-5-nonylbicyclo[2.2.1]heptane;4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;(1-ethylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;bis([6-(2-methylpropoxycarbonyl)-2-bicyclo[2.2.1]heptanyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate);(6-pentoxycarbonyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is USUGTOQXZXYTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O4.2C22H34O4.C21H32O2.C20H34O2.C18H28O2.C18H34.2C17H28O2.C16H26O2.C14H22.C9H16/c1-4-5-6-7-26-22(24)19-9-15-8-18(19)21(10-15)27-23(25)20-12-16-11-17(20)14(3)13(16)2;2*1-11(2)10-25-21(23)18-6-14-5-17(18)20(7-14)26-22(24)19-9-15-8-16(19)13(4)12(15)3;1-11-12(2)18-9-15(11)10-19(18)20(22)23-21(3)16-5-13-4-14(7-16)8-17(21)6-13;1-4-5-6-15-7-9-17(10-8-15)22-20(21)19-12-16-11-18(19)14(3)13(16)2;1-10-11(2)15-7-13(10)8-16(15)17(19)20-18(3)9-12-4-5-14(18)6-12;1-4-5-6-7-8-9-10-11-16-12-17-13-18(16)15(3)14(17)2;1-11-12(2)14-9-13(11)10-15(14)16(18)19-17(3)7-5-4-6-8-17;1-4-17(7-5-6-8-17)19-16(18)15-10-13-9-14(15)12(3)11(13)2;1-10-11(2)13-8-12(10)9-14(13)15(17)18-16(3)6-4-5-7-16;1-7-8(2)12-6-11(7)13-9-3-4-10(5-9)14(12)13;1-6-7(2)9-4-3-8(6)5-9/h13-21H,4-12H2,1-3H3;2*11-20H,5-10H2,1-4H3;11-19H,4-10H2,1-3H3;13-19H,4-12H2,1-3H3;10-16H,4-9H2,1-3H3;14-18H,4-13H2,1-3H3;2*11-15H,4-10H2,1-3H3;10-14H,4-9H2,1-3H3;7-14H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3.
What are the key properties of (4-butylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2,3-dimethylbicyclo[2.2.1]heptane;2,3-dimethyl-5-nonylbicyclo[2.2.1]heptane;4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;(1-ethylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;bis([6-(2-methylpropoxycarbonyl)-2-bicyclo[2.2.1]heptanyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate);(6-pentoxycarbonyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
(4-butylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2,3-dimethylbicyclo[2.2.1]heptane;2,3-dimethyl-5-nonylbicyclo[2.2.1]heptane;4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;(1-ethylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;bis([6-(2-methylpropoxycarbonyl)-2-bicyclo[2.2.1]heptanyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate);(6-pentoxycarbonyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 3345.18 g/mol, XLogP of 51.13, 41 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2,3-dimethylbicyclo[2.2.1]heptane;2,3-dimethyl-5-nonylbicyclo[2.2.1]heptane;4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;(1-ethylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-adamantyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclohexyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;bis([6-(2-methylpropoxycarbonyl)-2-bicyclo[2.2.1]heptanyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate);(6-pentoxycarbonyl-2-bicyclo[2.2.1]heptanyl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 161183563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).