2-(1-adamantyl)propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;2-(1-adamantyl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(1-methylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;hexakis(methyl 2,2-dimethylbutanoate)

C151H250O24 — CID 158312851

About 2-(1-adamantyl)propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;2-(1-adamantyl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(1-methylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;hexakis(methyl 2,2-dimethylbutanoate)

2-(1-adamantyl)propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;2-(1-adamantyl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(1-methylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;hexakis(methyl 2,2-dimethylbutanoate) (PubChem CID 158312851) has the molecular formula C151H250O24 and a molecular weight of 2449.64 g/mol. Its IUPAC name is 2-(1-adamantyl)propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;2-(1-adamantyl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(1-methylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;hexakis(methyl 2,2-dimethylbutanoate).

Molecular Properties

• Compound Name: 2-(1-adamantyl)propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;2-(1-adamantyl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(1-methylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;hexakis(methyl 2,2-dimethylbutanoate)
• PubChem CID: 158312851
• Molecular Formula: C151H250O24
• Molecular Weight: 2449.64 g/mol
• Exact Mass: 2447.83
• IUPAC Name: 2-(1-adamantyl)propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;2-(1-adamantyl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(1-methylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;hexakis(methyl 2,2-dimethylbutanoate)
• SMILES: CC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CC(C)(C)OC(=O)C1CC2CCC1C2.CC(C)(OC(=O)C1CC2CC1C1C3CCC(C3)C21)C12CC3CC(CC(C3)C1)C2.CC(C)(OC(=O)C1CC2CCC1C2)C12CC3CC(CC(C3)C1)C2.CC1(OC(=O)C2CC3CC2C2C4CCC(C4)C32)CCCC1.CC1(OC(=O)C2CC3CCC2C3)CCCC1.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC
• InChI: InChI=1S/C26H38O2.C21H32O2.C19H28O2.C17H26O2.C14H22O2.C12H20O2.6C7H14O2/c1-25(2,26-11-14-5-15(12-26)7-16(6-14)13-26)28-24(27)21-10-19-9-20(21)23-18-4-3-17(8-18)22(19)23;1-20(2,23-19(22)18-9-13-3-4-17(18)8-13)21-10-14-5-15(11-21)7-16(6-14)12-21;1-19(6-2-3-7-19)21-18(20)15-10-13-9-14(15)17-12-5-4-11(8-12)16(13)17;1-17(2,3)19-16(18)13-8-11-7-12(13)15-10-5-4-9(6-10)14(11)15;1-14(6-2-3-7-14)16-13(15)12-9-10-4-5-11(12)8-10;1-12(2,3)14-11(13)10-7-8-4-5-9(10)6-8;6*1-5-7(2,3)6(8)9-4/h14-23H,3-13H2,1-2H3;13-18H,3-12H2,1-2H3;11-17H,2-10H2,1H3;9-15H,4-8H2,1-3H3;10-12H,2-9H2,1H3;8-10H,4-7H2,1-3H3;6*5H2,1-4H3
• InChIKey: GNWVBOSJKFSKGW-UHFFFAOYSA-N
• XLogP: 34.27
• TPSA: 315.60 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2449.64
LogP ≤ 5	34.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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 2-(1-adamantyl)propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;2-(1-adamantyl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(1-methylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;hexakis(methyl 2,2-dimethylbutanoate)?

The IUPAC name of 2-(1-adamantyl)propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;2-(1-adamantyl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(1-methylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;hexakis(methyl 2,2-dimethylbutanoate) (CID 158312851) is 2-(1-adamantyl)propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;2-(1-adamantyl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(1-methylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;hexakis(methyl 2,2-dimethylbutanoate).

What is the SMILES notation for 2-(1-adamantyl)propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;2-(1-adamantyl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(1-methylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;hexakis(methyl 2,2-dimethylbutanoate)?

The canonical SMILES for 2-(1-adamantyl)propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;2-(1-adamantyl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(1-methylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;hexakis(methyl 2,2-dimethylbutanoate) is CC(C)(C)OC(=O)C1CC2CC1C1C3CCC(C3)C21.CC(C)(C)OC(=O)C1CC2CCC1C2.CC(C)(OC(=O)C1CC2CC1C1C3CCC(C3)C21)C12CC3CC(CC(C3)C1)C2.CC(C)(OC(=O)C1CC2CCC1C2)C12CC3CC(CC(C3)C1)C2.CC1(OC(=O)C2CC3CC2C2C4CCC(C4)C32)CCCC1.CC1(OC(=O)C2CC3CCC2C3)CCCC1.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.

What is the InChIKey of 2-(1-adamantyl)propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;2-(1-adamantyl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(1-methylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;hexakis(methyl 2,2-dimethylbutanoate)?

The InChIKey is GNWVBOSJKFSKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2.C21H32O2.C19H28O2.C17H26O2.C14H22O2.C12H20O2.6C7H14O2/c1-25(2,26-11-14-5-15(12-26)7-16(6-14)13-26)28-24(27)21-10-19-9-20(21)23-18-4-3-17(8-18)22(19)23;1-20(2,23-19(22)18-9-13-3-4-17(18)8-13)21-10-14-5-15(11-21)7-16(6-14)12-21;1-19(6-2-3-7-19)21-18(20)15-10-13-9-14(15)17-12-5-4-11(8-12)16(13)17;1-17(2,3)19-16(18)13-8-11-7-12(13)15-10-5-4-9(6-10)14(11)15;1-14(6-2-3-7-14)16-13(15)12-9-10-4-5-11(12)8-10;1-12(2,3)14-11(13)10-7-8-4-5-9(10)6-8;6*1-5-7(2,3)6(8)9-4/h14-23H,3-13H2,1-2H3;13-18H,3-12H2,1-2H3;11-17H,2-10H2,1H3;9-15H,4-8H2,1-3H3;10-12H,2-9H2,1H3;8-10H,4-7H2,1-3H3;6*5H2,1-4H3.

What are the key properties of 2-(1-adamantyl)propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;2-(1-adamantyl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(1-methylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;hexakis(methyl 2,2-dimethylbutanoate)?

2-(1-adamantyl)propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;2-(1-adamantyl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(1-methylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;hexakis(methyl 2,2-dimethylbutanoate) has a molecular weight of 2449.64 g/mol, XLogP of 34.27, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)propan-2-yl bicyclo[2.2.1]heptane-2-carboxylate;2-(1-adamantyl)propan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;(1-methylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate;(1-methylcyclopentyl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;hexakis(methyl 2,2-dimethylbutanoate) is sourced from PubChem (CID 158312851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).