4-(2,2-dimethylbutoxy)-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-ethyltricyclo[5.2.1.02,6]decane;4-(2,2-dimethylbutoxy)-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-methyltricyclo[5.2.1.02,6]decane;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-ethyl-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;methane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 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

C202H400O18 — CID 158234045

IUPAC4-(2,2-dimethylbutoxy)-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-ethyltricyclo[5.2.1.02,6]decane;4-(2,2-dimethylbutoxy)-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-methyltricyclo[5.2.1.02,6]decane;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-ethyl-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;methane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 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
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC1(C)CC2CCC1(C)C2(C)C.CCC(C)(C)C(=O)OC1(C)CC2CCC1C2.CCC(C)(C)C(=O)OC1(CC)CC2CCC1C2.CCC(C)(C)C(=O)OC1(CC)CC2CCC1C2(C)C.CCC(C)(C)COC1(C)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)COC1(C)CC2CC1C1CCCC21.CCC(C)(C)COC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)COC1(CC)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)CC2CCC1C2
InChIInChI=1S/C20H34O.C19H32O.C18H32O.2C17H30O2.C17H30O.C16H28O2.C15H26O2.2C14H24O2.C13H22O2.22CH4/c1-5-19(3,4)12-21-20(6-2)11-15-10-16(20)18-14-8-7-13(9-14)17(15)18;1-5-18(2,3)11-20-19(4)10-14-9-15(19)17-13-7-6-12(8-13)16(14)17;1-5-17(3,4)12-19-18(6-2)11-13-10-16(18)15-9-7-8-14(13)15;1-8-14(2,3)13(18)19-17(7)11-12-9-10-16(17,6)15(12,4)5;1-7-15(3,4)14(18)19-17(8-2)11-12-9-10-13(17)16(12,5)6;1-5-16(2,3)11-18-17(4)10-12-9-15(17)14-8-6-7-13(12)14;1-7-11(2)13(17)18-16(6)10-12-8-9-15(16,5)14(12,3)4;1-5-14(3,4)13(16)17-15(6-2)10-11-7-8-12(15)9-11;1-5-13(2,3)12(15)16-14(4)9-10-6-7-11(14)8-10;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;;;;;;;;;;;;;;;;;;;;;;/h13-18H,5-12H2,1-4H3;12-17H,5-11H2,1-4H3;13-16H,5-12H2,1-4H3;12H,8-11H2,1-7H3;12-13H,7-11H2,1-6H3;12-15H,5-11H2,1-4H3;11-12H,7-10H2,1-6H3;11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;22*1H4
InChIKeyGESWSVWWEGMAHV-UHFFFAOYSA-N
MW3117.40 g/mol
LogP61.38
Rot. Bonds42

About 4-(2,2-dimethylbutoxy)-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-ethyltricyclo[5.2.1.02,6]decane;4-(2,2-dimethylbutoxy)-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-methyltricyclo[5.2.1.02,6]decane;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-ethyl-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;methane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 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

4-(2,2-dimethylbutoxy)-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-ethyltricyclo[5.2.1.02,6]decane;4-(2,2-dimethylbutoxy)-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-methyltricyclo[5.2.1.02,6]decane;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-ethyl-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;methane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 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 158234045) has the molecular formula C202H400O18 and a molecular weight of 3117.40 g/mol. Its IUPAC name is 4-(2,2-dimethylbutoxy)-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-ethyltricyclo[5.2.1.02,6]decane;4-(2,2-dimethylbutoxy)-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-methyltricyclo[5.2.1.02,6]decane;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-ethyl-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;methane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 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 Name4-(2,2-dimethylbutoxy)-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-ethyltricyclo[5.2.1.02,6]decane;4-(2,2-dimethylbutoxy)-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-methyltricyclo[5.2.1.02,6]decane;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-ethyl-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;methane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 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 CID158234045
Molecular FormulaC202H400O18
Molecular Weight3117.40 g/mol
Exact Mass3115.04
IUPAC Name4-(2,2-dimethylbutoxy)-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-ethyltricyclo[5.2.1.02,6]decane;4-(2,2-dimethylbutoxy)-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-methyltricyclo[5.2.1.02,6]decane;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-ethyl-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;methane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 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
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC1(C)CC2CCC1(C)C2(C)C.CCC(C)(C)C(=O)OC1(C)CC2CCC1C2.CCC(C)(C)C(=O)OC1(CC)CC2CCC1C2.CCC(C)(C)C(=O)OC1(CC)CC2CCC1C2(C)C.CCC(C)(C)COC1(C)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)COC1(C)CC2CC1C1CCCC21.CCC(C)(C)COC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)COC1(CC)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)CC2CCC1C2
InChIInChI=1S/C20H34O.C19H32O.C18H32O.2C17H30O2.C17H30O.C16H28O2.C15H26O2.2C14H24O2.C13H22O2.22CH4/c1-5-19(3,4)12-21-20(6-2)11-15-10-16(20)18-14-8-7-13(9-14)17(15)18;1-5-18(2,3)11-20-19(4)10-14-9-15(19)17-13-7-6-12(8-13)16(14)17;1-5-17(3,4)12-19-18(6-2)11-13-10-16(18)15-9-7-8-14(13)15;1-8-14(2,3)13(18)19-17(7)11-12-9-10-16(17,6)15(12,4)5;1-7-15(3,4)14(18)19-17(8-2)11-12-9-10-13(17)16(12,5)6;1-5-16(2,3)11-18-17(4)10-12-9-15(17)14-8-6-7-13(12)14;1-7-11(2)13(17)18-16(6)10-12-8-9-15(16,5)14(12,3)4;1-5-14(3,4)13(16)17-15(6-2)10-11-7-8-12(15)9-11;1-5-13(2,3)12(15)16-14(4)9-10-6-7-11(14)8-10;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;;;;;;;;;;;;;;;;;;;;;;/h13-18H,5-12H2,1-4H3;12-17H,5-11H2,1-4H3;13-16H,5-12H2,1-4H3;12H,8-11H2,1-7H3;12-13H,7-11H2,1-6H3;12-15H,5-11H2,1-4H3;11-12H,7-10H2,1-6H3;11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;22*1H4
InChIKeyGESWSVWWEGMAHV-UHFFFAOYSA-N
XLogP61.38
TPSA221.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds42
Heavy Atoms220
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003117.40
LogP ≤ 561.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 4-(2,2-dimethylbutoxy)-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-ethyltricyclo[5.2.1.02,6]decane;4-(2,2-dimethylbutoxy)-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-methyltricyclo[5.2.1.02,6]decane;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-ethyl-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;methane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 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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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylbutoxy)-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-ethyltricyclo[5.2.1.02,6]decane;4-(2,2-dimethylbutoxy)-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-methyltricyclo[5.2.1.02,6]decane;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-ethyl-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;methane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 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 4-(2,2-dimethylbutoxy)-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-ethyltricyclo[5.2.1.02,6]decane;4-(2,2-dimethylbutoxy)-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-methyltricyclo[5.2.1.02,6]decane;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-ethyl-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;methane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 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 158234045) is 4-(2,2-dimethylbutoxy)-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-ethyltricyclo[5.2.1.02,6]decane;4-(2,2-dimethylbutoxy)-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-methyltricyclo[5.2.1.02,6]decane;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-ethyl-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;methane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 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 4-(2,2-dimethylbutoxy)-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-ethyltricyclo[5.2.1.02,6]decane;4-(2,2-dimethylbutoxy)-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-methyltricyclo[5.2.1.02,6]decane;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-ethyl-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;methane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 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 4-(2,2-dimethylbutoxy)-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-ethyltricyclo[5.2.1.02,6]decane;4-(2,2-dimethylbutoxy)-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-methyltricyclo[5.2.1.02,6]decane;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-ethyl-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;methane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 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 C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC1(C)CC2CCC1(C)C2(C)C.CCC(C)(C)C(=O)OC1(C)CC2CCC1C2.CCC(C)(C)C(=O)OC1(CC)CC2CCC1C2.CCC(C)(C)C(=O)OC1(CC)CC2CCC1C2(C)C.CCC(C)(C)COC1(C)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)COC1(C)CC2CC1C1CCCC21.CCC(C)(C)COC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)COC1(CC)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)CC2CCC1C2.
What is the InChIKey of 4-(2,2-dimethylbutoxy)-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-ethyltricyclo[5.2.1.02,6]decane;4-(2,2-dimethylbutoxy)-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-methyltricyclo[5.2.1.02,6]decane;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-ethyl-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;methane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 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 GESWSVWWEGMAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O.C19H32O.C18H32O.2C17H30O2.C17H30O.C16H28O2.C15H26O2.2C14H24O2.C13H22O2.22CH4/c1-5-19(3,4)12-21-20(6-2)11-15-10-16(20)18-14-8-7-13(9-14)17(15)18;1-5-18(2,3)11-20-19(4)10-14-9-15(19)17-13-7-6-12(8-13)16(14)17;1-5-17(3,4)12-19-18(6-2)11-13-10-16(18)15-9-7-8-14(13)15;1-8-14(2,3)13(18)19-17(7)11-12-9-10-16(17,6)15(12,4)5;1-7-15(3,4)14(18)19-17(8-2)11-12-9-10-13(17)16(12,5)6;1-5-16(2,3)11-18-17(4)10-12-9-15(17)14-8-6-7-13(12)14;1-7-11(2)13(17)18-16(6)10-12-8-9-15(16,5)14(12,3)4;1-5-14(3,4)13(16)17-15(6-2)10-11-7-8-12(15)9-11;1-5-13(2,3)12(15)16-14(4)9-10-6-7-11(14)8-10;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;;;;;;;;;;;;;;;;;;;;;;/h13-18H,5-12H2,1-4H3;12-17H,5-11H2,1-4H3;13-16H,5-12H2,1-4H3;12H,8-11H2,1-7H3;12-13H,7-11H2,1-6H3;12-15H,5-11H2,1-4H3;11-12H,7-10H2,1-6H3;11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3;10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;22*1H4.
What are the key properties of 4-(2,2-dimethylbutoxy)-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-ethyltricyclo[5.2.1.02,6]decane;4-(2,2-dimethylbutoxy)-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-methyltricyclo[5.2.1.02,6]decane;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-ethyl-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;methane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 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?
4-(2,2-dimethylbutoxy)-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-ethyltricyclo[5.2.1.02,6]decane;4-(2,2-dimethylbutoxy)-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-methyltricyclo[5.2.1.02,6]decane;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-ethyl-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;methane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 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 3117.40 g/mol, XLogP of 61.38, 42 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylbutoxy)-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-ethyltricyclo[5.2.1.02,6]decane;4-(2,2-dimethylbutoxy)-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;8-(2,2-dimethylbutoxy)-8-methyltricyclo[5.2.1.02,6]decane;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-ethyl-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;methane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 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 158234045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).