(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate

C202H340O24 — CID 159113294

IUPAC(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(C)CC2CC1C1CCCC21.CCC(C)(C)C(=O)OC1(C)CC2CCC1(C)C2(C)C.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1CCCC21.CCC(C)(C)C(=O)OC1(CC)CC2CCC1(C)C2(C)C.CCC(C)C(=O)OC1(C)CC2CC1C1CCCC21.CCC(C)C(=O)OC1(C)CC2CCC1(C)C2(C)C.CCC(C)C(=O)OC1(C)CC2CCC1C2.CCC(C)C(=O)OC1(CC)CC2CC1C1CCCC21.CCC(C)C(=O)OC1(CC)CC2CCC1(C)C2(C)C.CCC(C)C(=O)OC1(CC)CC2CCC1C2
InChIInChI=1S/C20H32O2.C19H30O2.C18H30O2.C18H32O2.2C17H28O2.2C17H30O2.C16H26O2.C16H28O2.C14H24O2.C13H22O2/c1-5-19(3,4)18(21)22-20(6-2)11-14-10-15(20)17-13-8-7-12(9-13)16(14)17;1-5-18(2,3)17(20)21-19(4)10-13-9-14(19)16-12-7-6-11(8-12)15(13)16;1-5-17(3,4)16(19)20-18(6-2)11-12-10-15(18)14-9-7-8-13(12)14;1-8-15(3,4)14(19)20-18(9-2)12-13-10-11-17(18,7)16(13,5)6;1-5-16(2,3)15(18)19-17(4)10-11-9-14(17)13-8-6-7-12(11)13;1-4-11(3)16(18)19-17(5-2)10-12-9-15(17)14-8-6-7-13(12)14;1-8-14(2,3)13(18)19-17(7)11-12-9-10-16(17,6)15(12,4)5;1-7-12(3)14(18)19-17(8-2)11-13-9-10-16(17,6)15(13,4)5;1-4-10(2)15(17)18-16(3)9-11-8-14(16)13-7-5-6-12(11)13;1-7-11(2)13(17)18-16(6)10-12-8-9-15(16,5)14(12,3)4;1-4-10(3)13(15)16-14(5-2)9-11-6-7-12(14)8-11;1-4-9(2)12(14)15-13(3)8-10-5-6-11(13)7-10/h12-17H,5-11H2,1-4H3;11-16H,5-10H2,1-4H3;12-15H,5-11H2,1-4H3;13H,8-12H2,1-7H3;11-14H,5-10H2,1-4H3;11-15H,4-10H2,1-3H3;12H,8-11H2,1-7H3;12-13H,7-11H2,1-6H3;10-14H,4-9H2,1-3H3;11-12H,7-10H2,1-6H3;10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3
InChIKeyKETPNLGGGHIXOO-UHFFFAOYSA-N
MW3152.92 g/mol
LogP50.95
Rot. Bonds42

About (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate

(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate (PubChem CID 159113294) has the molecular formula C202H340O24 and a molecular weight of 3152.92 g/mol. Its IUPAC name is (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate.

Molecular Properties

Compound Name(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
PubChem CID159113294
Molecular FormulaC202H340O24
Molecular Weight3152.92 g/mol
Exact Mass3150.54
IUPAC Name(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(C)CC2CC1C1CCCC21.CCC(C)(C)C(=O)OC1(C)CC2CCC1(C)C2(C)C.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1CCCC21.CCC(C)(C)C(=O)OC1(CC)CC2CCC1(C)C2(C)C.CCC(C)C(=O)OC1(C)CC2CC1C1CCCC21.CCC(C)C(=O)OC1(C)CC2CCC1(C)C2(C)C.CCC(C)C(=O)OC1(C)CC2CCC1C2.CCC(C)C(=O)OC1(CC)CC2CC1C1CCCC21.CCC(C)C(=O)OC1(CC)CC2CCC1(C)C2(C)C.CCC(C)C(=O)OC1(CC)CC2CCC1C2
InChIInChI=1S/C20H32O2.C19H30O2.C18H30O2.C18H32O2.2C17H28O2.2C17H30O2.C16H26O2.C16H28O2.C14H24O2.C13H22O2/c1-5-19(3,4)18(21)22-20(6-2)11-14-10-15(20)17-13-8-7-12(9-13)16(14)17;1-5-18(2,3)17(20)21-19(4)10-13-9-14(19)16-12-7-6-11(8-12)15(13)16;1-5-17(3,4)16(19)20-18(6-2)11-12-10-15(18)14-9-7-8-13(12)14;1-8-15(3,4)14(19)20-18(9-2)12-13-10-11-17(18,7)16(13,5)6;1-5-16(2,3)15(18)19-17(4)10-11-9-14(17)13-8-6-7-12(11)13;1-4-11(3)16(18)19-17(5-2)10-12-9-15(17)14-8-6-7-13(12)14;1-8-14(2,3)13(18)19-17(7)11-12-9-10-16(17,6)15(12,4)5;1-7-12(3)14(18)19-17(8-2)11-13-9-10-16(17,6)15(13,4)5;1-4-10(2)15(17)18-16(3)9-11-8-14(16)13-7-5-6-12(11)13;1-7-11(2)13(17)18-16(6)10-12-8-9-15(16,5)14(12,3)4;1-4-10(3)13(15)16-14(5-2)9-11-6-7-12(14)8-11;1-4-9(2)12(14)15-13(3)8-10-5-6-11(13)7-10/h12-17H,5-11H2,1-4H3;11-16H,5-10H2,1-4H3;12-15H,5-11H2,1-4H3;13H,8-12H2,1-7H3;11-14H,5-10H2,1-4H3;11-15H,4-10H2,1-3H3;12H,8-11H2,1-7H3;12-13H,7-11H2,1-6H3;10-14H,4-9H2,1-3H3;11-12H,7-10H2,1-6H3;10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3
InChIKeyKETPNLGGGHIXOO-UHFFFAOYSA-N
XLogP50.95
TPSA315.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds42
Heavy Atoms226
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003152.92
LogP ≤ 550.95
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-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?
The IUPAC name of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate (CID 159113294) is (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate.
What is the SMILES notation for (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?
The canonical SMILES for (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate is 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)CC2CCC1(C)C2(C)C.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1CCCC21.CCC(C)(C)C(=O)OC1(CC)CC2CCC1(C)C2(C)C.CCC(C)C(=O)OC1(C)CC2CC1C1CCCC21.CCC(C)C(=O)OC1(C)CC2CCC1(C)C2(C)C.CCC(C)C(=O)OC1(C)CC2CCC1C2.CCC(C)C(=O)OC1(CC)CC2CC1C1CCCC21.CCC(C)C(=O)OC1(CC)CC2CCC1(C)C2(C)C.CCC(C)C(=O)OC1(CC)CC2CCC1C2.
What is the InChIKey of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?
The InChIKey is KETPNLGGGHIXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2.C19H30O2.C18H30O2.C18H32O2.2C17H28O2.2C17H30O2.C16H26O2.C16H28O2.C14H24O2.C13H22O2/c1-5-19(3,4)18(21)22-20(6-2)11-14-10-15(20)17-13-8-7-12(9-13)16(14)17;1-5-18(2,3)17(20)21-19(4)10-13-9-14(19)16-12-7-6-11(8-12)15(13)16;1-5-17(3,4)16(19)20-18(6-2)11-12-10-15(18)14-9-7-8-13(12)14;1-8-15(3,4)14(19)20-18(9-2)12-13-10-11-17(18,7)16(13,5)6;1-5-16(2,3)15(18)19-17(4)10-11-9-14(17)13-8-6-7-12(11)13;1-4-11(3)16(18)19-17(5-2)10-12-9-15(17)14-8-6-7-13(12)14;1-8-14(2,3)13(18)19-17(7)11-12-9-10-16(17,6)15(12,4)5;1-7-12(3)14(18)19-17(8-2)11-13-9-10-16(17,6)15(13,4)5;1-4-10(2)15(17)18-16(3)9-11-8-14(16)13-7-5-6-12(11)13;1-7-11(2)13(17)18-16(6)10-12-8-9-15(16,5)14(12,3)4;1-4-10(3)13(15)16-14(5-2)9-11-6-7-12(14)8-11;1-4-9(2)12(14)15-13(3)8-10-5-6-11(13)7-10/h12-17H,5-11H2,1-4H3;11-16H,5-10H2,1-4H3;12-15H,5-11H2,1-4H3;13H,8-12H2,1-7H3;11-14H,5-10H2,1-4H3;11-15H,4-10H2,1-3H3;12H,8-11H2,1-7H3;12-13H,7-11H2,1-6H3;10-14H,4-9H2,1-3H3;11-12H,7-10H2,1-6H3;10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3.
What are the key properties of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?
(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate has a molecular weight of 3152.92 g/mol, XLogP of 50.95, 42 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate is sourced from PubChem (CID 159113294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).