2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylbutan-2-yl 2,2-dimethylbutanoate;3-cyclopentylpentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;methane;(1-methylcyclohexyl) 2-methylbutanoate;2-(2-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylbutanoate;2-(2-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate

C241H500O28 — CID 158545472

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylbutan-2-yl 2,2-dimethylbutanoate;3-cyclopentylpentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;methane;(1-methylcyclohexyl) 2-methylbutanoate;2-(2-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylbutanoate;2-(2-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate
SMILESC.C.C.C.C.C.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)OC(C)(C)C1CCC(C)C1.CCC(C)(C)C(=O)OC(C)(C)C1CCC2CCCCC2C1.CCC(C)(C)C(=O)OC(C)(C)C1CCCC1.CCC(C)(C)C(=O)OC(C)(C)C1CCCC1C.CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1C.CCC(C)(C)C(=O)OC(C)(CC)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(CC)C1CCCC1.CCC(C)(C)C(=O)OC(CC)(CC)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(CC)(CC)C1CCCC1.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)C(=O)OC1(C)CCCC1.CCC(C)C(=O)OC1(C)CCCCC1.CCC(C)C(=O)OC1(CC)CCCCC1.CCC1(OC(=O)C(C)(C)CC)CCCCC1
InChIInChI=1S/C21H36O2.C20H34O2.C19H34O2.2C16H30O2.3C15H28O2.2C14H26O2.C13H24O2.2C12H22O2.C11H20O2.28CH4/c1-6-19(4,5)18(22)23-21(7-2,8-3)20-12-15-9-16(13-20)11-17(10-15)14-20;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;1-6-18(2,3)17(20)21-19(4,5)16-12-11-14-9-7-8-10-15(14)13-16;1-7-15(3,4)14(17)18-16(5,6)13-11-9-8-10-12(13)2;1-6-15(4,5)14(17)18-16(7-2,8-3)13-11-9-10-12-13;1-7-14(3,4)13(16)17-15(5,6)12-9-8-11(2)10-12;1-7-14(3,4)13(16)17-15(5,6)12-10-8-9-11(12)2;1-6-14(3,4)13(16)17-15(5,7-2)12-10-8-9-11-12;1-6-13(2,3)12(15)16-14(4,5)11-9-7-8-10-11;1-5-13(3,4)12(15)16-14(6-2)10-8-7-9-11-14;1-4-11(3)12(14)15-13(5-2)9-7-6-8-10-13;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12;1-4-10(2)11(13)14-12(3)8-6-5-7-9-12;1-4-9(2)10(12)13-11(3)7-5-6-8-11;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h15-17H,6-14H2,1-5H3;14-16H,6-13H2,1-5H3;14-16H,6-13H2,1-5H3;12-13H,7-11H2,1-6H3;13H,6-12H2,1-5H3;2*11-12H,7-10H2,1-6H3;12H,6-11H2,1-5H3;11H,6-10H2,1-5H3;5-11H2,1-4H3;11H,4-10H2,1-3H3;5-9H2,1-4H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;28*1H4
InChIKeyHPBAYULDSMCEIS-UHFFFAOYSA-N
MW3846.62 g/mol
LogP77.43
Rot. Bonds59

About 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylbutan-2-yl 2,2-dimethylbutanoate;3-cyclopentylpentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;methane;(1-methylcyclohexyl) 2-methylbutanoate;2-(2-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylbutanoate;2-(2-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylbutan-2-yl 2,2-dimethylbutanoate;3-cyclopentylpentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;methane;(1-methylcyclohexyl) 2-methylbutanoate;2-(2-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylbutanoate;2-(2-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate (PubChem CID 158545472) has the molecular formula C241H500O28 and a molecular weight of 3846.62 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylbutan-2-yl 2,2-dimethylbutanoate;3-cyclopentylpentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;methane;(1-methylcyclohexyl) 2-methylbutanoate;2-(2-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylbutanoate;2-(2-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylbutan-2-yl 2,2-dimethylbutanoate;3-cyclopentylpentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;methane;(1-methylcyclohexyl) 2-methylbutanoate;2-(2-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylbutanoate;2-(2-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate
PubChem CID158545472
Molecular FormulaC241H500O28
Molecular Weight3846.62 g/mol
Exact Mass3843.77
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylbutan-2-yl 2,2-dimethylbutanoate;3-cyclopentylpentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;methane;(1-methylcyclohexyl) 2-methylbutanoate;2-(2-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylbutanoate;2-(2-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate
SMILESC.C.C.C.C.C.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)OC(C)(C)C1CCC(C)C1.CCC(C)(C)C(=O)OC(C)(C)C1CCC2CCCCC2C1.CCC(C)(C)C(=O)OC(C)(C)C1CCCC1.CCC(C)(C)C(=O)OC(C)(C)C1CCCC1C.CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1C.CCC(C)(C)C(=O)OC(C)(CC)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(CC)C1CCCC1.CCC(C)(C)C(=O)OC(CC)(CC)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(CC)(CC)C1CCCC1.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)C(=O)OC1(C)CCCC1.CCC(C)C(=O)OC1(C)CCCCC1.CCC(C)C(=O)OC1(CC)CCCCC1.CCC1(OC(=O)C(C)(C)CC)CCCCC1
InChIInChI=1S/C21H36O2.C20H34O2.C19H34O2.2C16H30O2.3C15H28O2.2C14H26O2.C13H24O2.2C12H22O2.C11H20O2.28CH4/c1-6-19(4,5)18(22)23-21(7-2,8-3)20-12-15-9-16(13-20)11-17(10-15)14-20;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;1-6-18(2,3)17(20)21-19(4,5)16-12-11-14-9-7-8-10-15(14)13-16;1-7-15(3,4)14(17)18-16(5,6)13-11-9-8-10-12(13)2;1-6-15(4,5)14(17)18-16(7-2,8-3)13-11-9-10-12-13;1-7-14(3,4)13(16)17-15(5,6)12-9-8-11(2)10-12;1-7-14(3,4)13(16)17-15(5,6)12-10-8-9-11(12)2;1-6-14(3,4)13(16)17-15(5,7-2)12-10-8-9-11-12;1-6-13(2,3)12(15)16-14(4,5)11-9-7-8-10-11;1-5-13(3,4)12(15)16-14(6-2)10-8-7-9-11-14;1-4-11(3)12(14)15-13(5-2)9-7-6-8-10-13;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12;1-4-10(2)11(13)14-12(3)8-6-5-7-9-12;1-4-9(2)10(12)13-11(3)7-5-6-8-11;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h15-17H,6-14H2,1-5H3;14-16H,6-13H2,1-5H3;14-16H,6-13H2,1-5H3;12-13H,7-11H2,1-6H3;13H,6-12H2,1-5H3;2*11-12H,7-10H2,1-6H3;12H,6-11H2,1-5H3;11H,6-10H2,1-5H3;5-11H2,1-4H3;11H,4-10H2,1-3H3;5-9H2,1-4H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;28*1H4
InChIKeyHPBAYULDSMCEIS-UHFFFAOYSA-N
XLogP77.43
TPSA368.20 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds59
Heavy Atoms269
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003846.62
LogP ≤ 577.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylbutan-2-yl 2,2-dimethylbutanoate;3-cyclopentylpentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;methane;(1-methylcyclohexyl) 2-methylbutanoate;2-(2-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylbutanoate;2-(2-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylbutan-2-yl 2,2-dimethylbutanoate;3-cyclopentylpentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;methane;(1-methylcyclohexyl) 2-methylbutanoate;2-(2-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylbutanoate;2-(2-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylbutan-2-yl 2,2-dimethylbutanoate;3-cyclopentylpentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;methane;(1-methylcyclohexyl) 2-methylbutanoate;2-(2-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylbutanoate;2-(2-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate (CID 158545472) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylbutan-2-yl 2,2-dimethylbutanoate;3-cyclopentylpentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;methane;(1-methylcyclohexyl) 2-methylbutanoate;2-(2-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylbutanoate;2-(2-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylbutan-2-yl 2,2-dimethylbutanoate;3-cyclopentylpentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;methane;(1-methylcyclohexyl) 2-methylbutanoate;2-(2-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylbutanoate;2-(2-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylbutan-2-yl 2,2-dimethylbutanoate;3-cyclopentylpentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;methane;(1-methylcyclohexyl) 2-methylbutanoate;2-(2-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylbutanoate;2-(2-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate is C.C.C.C.C.C.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)OC(C)(C)C1CCC(C)C1.CCC(C)(C)C(=O)OC(C)(C)C1CCC2CCCCC2C1.CCC(C)(C)C(=O)OC(C)(C)C1CCCC1.CCC(C)(C)C(=O)OC(C)(C)C1CCCC1C.CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1C.CCC(C)(C)C(=O)OC(C)(CC)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(CC)C1CCCC1.CCC(C)(C)C(=O)OC(CC)(CC)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(CC)(CC)C1CCCC1.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)C(=O)OC1(C)CCCC1.CCC(C)C(=O)OC1(C)CCCCC1.CCC(C)C(=O)OC1(CC)CCCCC1.CCC1(OC(=O)C(C)(C)CC)CCCCC1.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylbutan-2-yl 2,2-dimethylbutanoate;3-cyclopentylpentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;methane;(1-methylcyclohexyl) 2-methylbutanoate;2-(2-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylbutanoate;2-(2-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate?
The InChIKey is HPBAYULDSMCEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2.C20H34O2.C19H34O2.2C16H30O2.3C15H28O2.2C14H26O2.C13H24O2.2C12H22O2.C11H20O2.28CH4/c1-6-19(4,5)18(22)23-21(7-2,8-3)20-12-15-9-16(13-20)11-17(10-15)14-20;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;1-6-18(2,3)17(20)21-19(4,5)16-12-11-14-9-7-8-10-15(14)13-16;1-7-15(3,4)14(17)18-16(5,6)13-11-9-8-10-12(13)2;1-6-15(4,5)14(17)18-16(7-2,8-3)13-11-9-10-12-13;1-7-14(3,4)13(16)17-15(5,6)12-9-8-11(2)10-12;1-7-14(3,4)13(16)17-15(5,6)12-10-8-9-11(12)2;1-6-14(3,4)13(16)17-15(5,7-2)12-10-8-9-11-12;1-6-13(2,3)12(15)16-14(4,5)11-9-7-8-10-11;1-5-13(3,4)12(15)16-14(6-2)10-8-7-9-11-14;1-4-11(3)12(14)15-13(5-2)9-7-6-8-10-13;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12;1-4-10(2)11(13)14-12(3)8-6-5-7-9-12;1-4-9(2)10(12)13-11(3)7-5-6-8-11;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h15-17H,6-14H2,1-5H3;14-16H,6-13H2,1-5H3;14-16H,6-13H2,1-5H3;12-13H,7-11H2,1-6H3;13H,6-12H2,1-5H3;2*11-12H,7-10H2,1-6H3;12H,6-11H2,1-5H3;11H,6-10H2,1-5H3;5-11H2,1-4H3;11H,4-10H2,1-3H3;5-9H2,1-4H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;28*1H4.
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylbutan-2-yl 2,2-dimethylbutanoate;3-cyclopentylpentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;methane;(1-methylcyclohexyl) 2-methylbutanoate;2-(2-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylbutanoate;2-(2-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylbutan-2-yl 2,2-dimethylbutanoate;3-cyclopentylpentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;methane;(1-methylcyclohexyl) 2-methylbutanoate;2-(2-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylbutanoate;2-(2-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate has a molecular weight of 3846.62 g/mol, XLogP of 77.43, 59 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl 2,2-dimethylbutanoate;2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylbutan-2-yl 2,2-dimethylbutanoate;3-cyclopentylpentan-3-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(1-ethylcyclohexyl) 2-methylbutanoate;methane;(1-methylcyclohexyl) 2-methylbutanoate;2-(2-methylcyclohexyl)propan-2-yl 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylbutanoate;2-(2-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate;2-(3-methylcyclopentyl)propan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 158545472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).