(1-tert-butylcyclohexyl) 2-methylbutanoate;(2-ethyl-2-adamantyl) 2-methylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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-methylbutanoate;(2-methyl-2-adamantyl) 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-methylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate

C159H268O20 — CID 161327765

About (1-tert-butylcyclohexyl) 2-methylbutanoate;(2-ethyl-2-adamantyl) 2-methylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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-methylbutanoate;(2-methyl-2-adamantyl) 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-methylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate

(1-tert-butylcyclohexyl) 2-methylbutanoate;(2-ethyl-2-adamantyl) 2-methylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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-methylbutanoate;(2-methyl-2-adamantyl) 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-methylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate (PubChem CID 161327765) has the molecular formula C159H268O20 and a molecular weight of 2499.87 g/mol. Its IUPAC name is (1-tert-butylcyclohexyl) 2-methylbutanoate;(2-ethyl-2-adamantyl) 2-methylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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-methylbutanoate;(2-methyl-2-adamantyl) 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-methylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate.

Molecular Properties

• Compound Name: (1-tert-butylcyclohexyl) 2-methylbutanoate;(2-ethyl-2-adamantyl) 2-methylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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-methylbutanoate;(2-methyl-2-adamantyl) 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-methylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
• PubChem CID: 161327765
• Molecular Formula: C159H268O20
• Molecular Weight: 2499.87 g/mol
• Exact Mass: 2498.00
• IUPAC Name: (1-tert-butylcyclohexyl) 2-methylbutanoate;(2-ethyl-2-adamantyl) 2-methylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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-methylbutanoate;(2-methyl-2-adamantyl) 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-methylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
• SMILES: CCC(C)C(=O)OC1(C(C)(C)C)CCCCC1.CCC(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)C(=O)OC1(C)CC2CC1C1C3CCC(C3)C21.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)C2CC3CC(C2)CC1C3.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
• InChI: InChI=1S/C18H28O2.2C17H28O2.C17H30O2.2C16H26O2.C16H28O2.C15H28O2.C14H24O2.C13H22O2/c1-4-10(2)17(19)20-18(3)9-13-8-14(18)16-12-6-5-11(7-12)15(13)16;1-4-11(3)16(18)19-17(5-2)14-7-12-6-13(9-14)10-15(17)8-12;1-4-11(3)16(18)19-17(5-2)10-12-9-15(17)14-8-6-7-13(12)14;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)13-6-11-5-12(8-13)9-14(16)7-11;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;1-6-12(2)13(16)17-15(14(3,4)5)10-8-7-9-11-15;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/h10-16H,4-9H2,1-3H3;2*11-15H,4-10H2,1-3H3;12-13H,7-11H2,1-6H3;2*10-14H,4-9H2,1-3H3;11-12H,7-10H2,1-6H3;12H,6-11H2,1-5H3;10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3
• InChIKey: VKZRHZFJVQBLAQ-UHFFFAOYSA-N
• XLogP: 39.75
• TPSA: 263.00 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 34
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2499.87
LogP ≤ 5	39.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylcyclohexyl) 2-methylbutanoate;(2-ethyl-2-adamantyl) 2-methylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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-methylbutanoate;(2-methyl-2-adamantyl) 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-methylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?

The IUPAC name of (1-tert-butylcyclohexyl) 2-methylbutanoate;(2-ethyl-2-adamantyl) 2-methylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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-methylbutanoate;(2-methyl-2-adamantyl) 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-methylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate (CID 161327765) is (1-tert-butylcyclohexyl) 2-methylbutanoate;(2-ethyl-2-adamantyl) 2-methylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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-methylbutanoate;(2-methyl-2-adamantyl) 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-methylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate.

What is the SMILES notation for (1-tert-butylcyclohexyl) 2-methylbutanoate;(2-ethyl-2-adamantyl) 2-methylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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-methylbutanoate;(2-methyl-2-adamantyl) 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-methylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?

The canonical SMILES for (1-tert-butylcyclohexyl) 2-methylbutanoate;(2-ethyl-2-adamantyl) 2-methylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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-methylbutanoate;(2-methyl-2-adamantyl) 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-methylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate is CCC(C)C(=O)OC1(C(C)(C)C)CCCCC1.CCC(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)C(=O)OC1(C)CC2CC1C1C3CCC(C3)C21.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)C2CC3CC(C2)CC1C3.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 (1-tert-butylcyclohexyl) 2-methylbutanoate;(2-ethyl-2-adamantyl) 2-methylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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-methylbutanoate;(2-methyl-2-adamantyl) 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-methylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?

The InChIKey is VKZRHZFJVQBLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2.2C17H28O2.C17H30O2.2C16H26O2.C16H28O2.C15H28O2.C14H24O2.C13H22O2/c1-4-10(2)17(19)20-18(3)9-13-8-14(18)16-12-6-5-11(7-12)15(13)16;1-4-11(3)16(18)19-17(5-2)14-7-12-6-13(9-14)10-15(17)8-12;1-4-11(3)16(18)19-17(5-2)10-12-9-15(17)14-8-6-7-13(12)14;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)13-6-11-5-12(8-13)9-14(16)7-11;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;1-6-12(2)13(16)17-15(14(3,4)5)10-8-7-9-11-15;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/h10-16H,4-9H2,1-3H3;2*11-15H,4-10H2,1-3H3;12-13H,7-11H2,1-6H3;2*10-14H,4-9H2,1-3H3;11-12H,7-10H2,1-6H3;12H,6-11H2,1-5H3;10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3.

What are the key properties of (1-tert-butylcyclohexyl) 2-methylbutanoate;(2-ethyl-2-adamantyl) 2-methylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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-methylbutanoate;(2-methyl-2-adamantyl) 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-methylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?

(1-tert-butylcyclohexyl) 2-methylbutanoate;(2-ethyl-2-adamantyl) 2-methylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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-methylbutanoate;(2-methyl-2-adamantyl) 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-methylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate has a molecular weight of 2499.87 g/mol, XLogP of 39.75, 34 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (1-tert-butylcyclohexyl) 2-methylbutanoate;(2-ethyl-2-adamantyl) 2-methylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(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-methylbutanoate;(2-methyl-2-adamantyl) 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-methylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate is sourced from PubChem (CID 161327765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).