1-adamantyl 2-methylpropanoate;2-adamantyl 2-methylpropanoate;dicyclohexylmethyl 2-methylpropanoate;(2-ethyl-2-adamantyl) 2-methylpropanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-methyl-2-adamantyl) 2-methylpropanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-propan-2-yl-2-adamantyl) 2-methylpropanoate

C159H256O20 — CID 162127783

About 1-adamantyl 2-methylpropanoate;2-adamantyl 2-methylpropanoate;dicyclohexylmethyl 2-methylpropanoate;(2-ethyl-2-adamantyl) 2-methylpropanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-methyl-2-adamantyl) 2-methylpropanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-propan-2-yl-2-adamantyl) 2-methylpropanoate

1-adamantyl 2-methylpropanoate;2-adamantyl 2-methylpropanoate;dicyclohexylmethyl 2-methylpropanoate;(2-ethyl-2-adamantyl) 2-methylpropanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-methyl-2-adamantyl) 2-methylpropanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-propan-2-yl-2-adamantyl) 2-methylpropanoate (PubChem CID 162127783) has the molecular formula C159H256O20 and a molecular weight of 2487.78 g/mol. Its IUPAC name is 1-adamantyl 2-methylpropanoate;2-adamantyl 2-methylpropanoate;dicyclohexylmethyl 2-methylpropanoate;(2-ethyl-2-adamantyl) 2-methylpropanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-methyl-2-adamantyl) 2-methylpropanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-propan-2-yl-2-adamantyl) 2-methylpropanoate.

Molecular Properties

• Compound Name: 1-adamantyl 2-methylpropanoate;2-adamantyl 2-methylpropanoate;dicyclohexylmethyl 2-methylpropanoate;(2-ethyl-2-adamantyl) 2-methylpropanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-methyl-2-adamantyl) 2-methylpropanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-propan-2-yl-2-adamantyl) 2-methylpropanoate
• PubChem CID: 162127783
• Molecular Formula: C159H256O20
• Molecular Weight: 2487.78 g/mol
• Exact Mass: 2485.90
• IUPAC Name: 1-adamantyl 2-methylpropanoate;2-adamantyl 2-methylpropanoate;dicyclohexylmethyl 2-methylpropanoate;(2-ethyl-2-adamantyl) 2-methylpropanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-methyl-2-adamantyl) 2-methylpropanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-propan-2-yl-2-adamantyl) 2-methylpropanoate
• SMILES: CC(C)C(=O)OC(C1CCCCC1)C1CCCCC1.CC(C)C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.CC(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(C)C(=O)OC1(C)CC2CC1C1C3CCC(C3)C21.CC(C)C(=O)OC1(C)CC2CC1C1CCCC21.CC(C)C(=O)OC12CC3CC(CC(C3)C1)C2.CC(C)C(=O)OC1C2CC3CC(C2)CC1C3.CCC1(OC(=O)C(C)C)C2CC3CC(C2)CC1C3.CCC1(OC(=O)C(C)C)CC2CC1C1C3CCC(C3)C21.CCC1(OC(=O)C(C)C)CC2CC1C1CCCC21
• InChI: InChI=1S/C18H28O2.C17H26O2.C17H28O2.C17H30O2.2C16H26O2.2C15H24O2.2C14H22O2/c1-4-18(20-17(19)10(2)3)9-13-8-14(18)16-12-6-5-11(7-12)15(13)16;1-9(2)16(18)19-17(3)8-12-7-13(17)15-11-5-4-10(6-11)14(12)15;1-10(2)16(18)19-17(11(3)4)14-6-12-5-13(8-14)9-15(17)7-12;1-13(2)17(18)19-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-4-16(18-15(17)10(2)3)9-11-8-14(16)13-7-5-6-12(11)13;1-9(2)14(16)17-15(3)12-5-10-4-11(7-12)8-13(15)6-10;1-9(2)14(16)17-15(3)8-10-7-13(15)12-6-4-5-11(10)12;1-9(2)13(15)16-14-6-10-3-11(7-14)5-12(4-10)8-14;1-8(2)14(15)16-13-11-4-9-3-10(6-11)7-12(13)5-9/h10-16H,4-9H2,1-3H3;9-15H,4-8H2,1-3H3;10-15H,5-9H2,1-4H3;13-16H,3-12H2,1-2H3;2*10-14H,4-9H2,1-3H3;2*9-13H,4-8H2,1-3H3;9-12H,3-8H2,1-2H3;8-13H,3-7H2,1-2H3
• InChIKey: ZIGQERREINUJED-UHFFFAOYSA-N
• XLogP: 36.98
• TPSA: 263.00 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2487.78
LogP ≤ 5	36.98
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-adamantyl 2-methylpropanoate;2-adamantyl 2-methylpropanoate;dicyclohexylmethyl 2-methylpropanoate;(2-ethyl-2-adamantyl) 2-methylpropanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-methyl-2-adamantyl) 2-methylpropanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-propan-2-yl-2-adamantyl) 2-methylpropanoate?

The IUPAC name of 1-adamantyl 2-methylpropanoate;2-adamantyl 2-methylpropanoate;dicyclohexylmethyl 2-methylpropanoate;(2-ethyl-2-adamantyl) 2-methylpropanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-methyl-2-adamantyl) 2-methylpropanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-propan-2-yl-2-adamantyl) 2-methylpropanoate (CID 162127783) is 1-adamantyl 2-methylpropanoate;2-adamantyl 2-methylpropanoate;dicyclohexylmethyl 2-methylpropanoate;(2-ethyl-2-adamantyl) 2-methylpropanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-methyl-2-adamantyl) 2-methylpropanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-propan-2-yl-2-adamantyl) 2-methylpropanoate.

What is the SMILES notation for 1-adamantyl 2-methylpropanoate;2-adamantyl 2-methylpropanoate;dicyclohexylmethyl 2-methylpropanoate;(2-ethyl-2-adamantyl) 2-methylpropanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-methyl-2-adamantyl) 2-methylpropanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-propan-2-yl-2-adamantyl) 2-methylpropanoate?

The canonical SMILES for 1-adamantyl 2-methylpropanoate;2-adamantyl 2-methylpropanoate;dicyclohexylmethyl 2-methylpropanoate;(2-ethyl-2-adamantyl) 2-methylpropanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-methyl-2-adamantyl) 2-methylpropanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-propan-2-yl-2-adamantyl) 2-methylpropanoate is CC(C)C(=O)OC(C1CCCCC1)C1CCCCC1.CC(C)C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.CC(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(C)C(=O)OC1(C)CC2CC1C1C3CCC(C3)C21.CC(C)C(=O)OC1(C)CC2CC1C1CCCC21.CC(C)C(=O)OC12CC3CC(CC(C3)C1)C2.CC(C)C(=O)OC1C2CC3CC(C2)CC1C3.CCC1(OC(=O)C(C)C)C2CC3CC(C2)CC1C3.CCC1(OC(=O)C(C)C)CC2CC1C1C3CCC(C3)C21.CCC1(OC(=O)C(C)C)CC2CC1C1CCCC21.

What is the InChIKey of 1-adamantyl 2-methylpropanoate;2-adamantyl 2-methylpropanoate;dicyclohexylmethyl 2-methylpropanoate;(2-ethyl-2-adamantyl) 2-methylpropanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-methyl-2-adamantyl) 2-methylpropanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-propan-2-yl-2-adamantyl) 2-methylpropanoate?

The InChIKey is ZIGQERREINUJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2.C17H26O2.C17H28O2.C17H30O2.2C16H26O2.2C15H24O2.2C14H22O2/c1-4-18(20-17(19)10(2)3)9-13-8-14(18)16-12-6-5-11(7-12)15(13)16;1-9(2)16(18)19-17(3)8-12-7-13(17)15-11-5-4-10(6-11)14(12)15;1-10(2)16(18)19-17(11(3)4)14-6-12-5-13(8-14)9-15(17)7-12;1-13(2)17(18)19-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-4-16(18-15(17)10(2)3)9-11-8-14(16)13-7-5-6-12(11)13;1-9(2)14(16)17-15(3)12-5-10-4-11(7-12)8-13(15)6-10;1-9(2)14(16)17-15(3)8-10-7-13(15)12-6-4-5-11(10)12;1-9(2)13(15)16-14-6-10-3-11(7-14)5-12(4-10)8-14;1-8(2)14(15)16-13-11-4-9-3-10(6-11)7-12(13)5-9/h10-16H,4-9H2,1-3H3;9-15H,4-8H2,1-3H3;10-15H,5-9H2,1-4H3;13-16H,3-12H2,1-2H3;2*10-14H,4-9H2,1-3H3;2*9-13H,4-8H2,1-3H3;9-12H,3-8H2,1-2H3;8-13H,3-7H2,1-2H3.

What are the key properties of 1-adamantyl 2-methylpropanoate;2-adamantyl 2-methylpropanoate;dicyclohexylmethyl 2-methylpropanoate;(2-ethyl-2-adamantyl) 2-methylpropanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-methyl-2-adamantyl) 2-methylpropanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-propan-2-yl-2-adamantyl) 2-methylpropanoate?

1-adamantyl 2-methylpropanoate;2-adamantyl 2-methylpropanoate;dicyclohexylmethyl 2-methylpropanoate;(2-ethyl-2-adamantyl) 2-methylpropanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-methyl-2-adamantyl) 2-methylpropanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-propan-2-yl-2-adamantyl) 2-methylpropanoate has a molecular weight of 2487.78 g/mol, XLogP of 36.98, 26 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-adamantyl 2-methylpropanoate;2-adamantyl 2-methylpropanoate;dicyclohexylmethyl 2-methylpropanoate;(2-ethyl-2-adamantyl) 2-methylpropanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-methyl-2-adamantyl) 2-methylpropanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylpropanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylpropanoate;(2-propan-2-yl-2-adamantyl) 2-methylpropanoate is sourced from PubChem (CID 162127783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).