2-(1-adamantyl)propan-2-yl 2-methylpropanoate;bis(tert-butyl 2-methylpropanoate);bis(2-cyclohexylpropan-2-yl 2-methylpropanoate);ethane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate;(1-methylcyclohexyl) 2-methylpropanoate;(1-methylcyclopentyl) 2-methylpropanoate

C102H196O16 — CID 162196008

About 2-(1-adamantyl)propan-2-yl 2-methylpropanoate;bis(tert-butyl 2-methylpropanoate);bis(2-cyclohexylpropan-2-yl 2-methylpropanoate);ethane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate;(1-methylcyclohexyl) 2-methylpropanoate;(1-methylcyclopentyl) 2-methylpropanoate

2-(1-adamantyl)propan-2-yl 2-methylpropanoate;bis(tert-butyl 2-methylpropanoate);bis(2-cyclohexylpropan-2-yl 2-methylpropanoate);ethane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate;(1-methylcyclohexyl) 2-methylpropanoate;(1-methylcyclopentyl) 2-methylpropanoate (PubChem CID 162196008) has the molecular formula C102H196O16 and a molecular weight of 1678.67 g/mol. Its IUPAC name is 2-(1-adamantyl)propan-2-yl 2-methylpropanoate;bis(tert-butyl 2-methylpropanoate);bis(2-cyclohexylpropan-2-yl 2-methylpropanoate);ethane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate;(1-methylcyclohexyl) 2-methylpropanoate;(1-methylcyclopentyl) 2-methylpropanoate.

Molecular Properties

• Compound Name: 2-(1-adamantyl)propan-2-yl 2-methylpropanoate;bis(tert-butyl 2-methylpropanoate);bis(2-cyclohexylpropan-2-yl 2-methylpropanoate);ethane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate;(1-methylcyclohexyl) 2-methylpropanoate;(1-methylcyclopentyl) 2-methylpropanoate
• PubChem CID: 162196008
• Molecular Formula: C102H196O16
• Molecular Weight: 1678.67 g/mol
• Exact Mass: 1677.45
• IUPAC Name: 2-(1-adamantyl)propan-2-yl 2-methylpropanoate;bis(tert-butyl 2-methylpropanoate);bis(2-cyclohexylpropan-2-yl 2-methylpropanoate);ethane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate;(1-methylcyclohexyl) 2-methylpropanoate;(1-methylcyclopentyl) 2-methylpropanoate
• SMILES: CC.CC.CC.CC.CC.CC(C)C(=O)OC(C)(C)C.CC(C)C(=O)OC(C)(C)C.CC(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CC(C)C(=O)OC(C)(C)C1CCCCC1.CC(C)C(=O)OC(C)(C)C1CCCCC1.CC(C)C(=O)OC1(C)CC2CCC1C2.CC(C)C(=O)OC1(C)CCCC1.CC(C)C(=O)OC1(C)CCCCC1
• InChI: InChI=1S/C17H28O2.2C13H24O2.C12H20O2.C11H20O2.C10H18O2.2C8H16O2.5C2H6/c1-11(2)15(18)19-16(3,4)17-8-12-5-13(9-17)7-14(6-12)10-17;2*1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11;1-8(2)11(13)14-12(3)7-9-4-5-10(12)6-9;1-9(2)10(12)13-11(3)7-5-4-6-8-11;1-8(2)9(11)12-10(3)6-4-5-7-10;2*1-6(2)7(9)10-8(3,4)5;5*1-2/h11-14H,5-10H2,1-4H3;2*10-11H,5-9H2,1-4H3;8-10H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;2*6H,1-5H3;5*1-2H3
• InChIKey: ZQYFIQHUUMQXMO-UHFFFAOYSA-N
• XLogP: 28.56
• TPSA: 210.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1678.67
LogP ≤ 5	28.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)propan-2-yl 2-methylpropanoate;bis(tert-butyl 2-methylpropanoate);bis(2-cyclohexylpropan-2-yl 2-methylpropanoate);ethane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate;(1-methylcyclohexyl) 2-methylpropanoate;(1-methylcyclopentyl) 2-methylpropanoate?

The IUPAC name of 2-(1-adamantyl)propan-2-yl 2-methylpropanoate;bis(tert-butyl 2-methylpropanoate);bis(2-cyclohexylpropan-2-yl 2-methylpropanoate);ethane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate;(1-methylcyclohexyl) 2-methylpropanoate;(1-methylcyclopentyl) 2-methylpropanoate (CID 162196008) is 2-(1-adamantyl)propan-2-yl 2-methylpropanoate;bis(tert-butyl 2-methylpropanoate);bis(2-cyclohexylpropan-2-yl 2-methylpropanoate);ethane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate;(1-methylcyclohexyl) 2-methylpropanoate;(1-methylcyclopentyl) 2-methylpropanoate.

What is the SMILES notation for 2-(1-adamantyl)propan-2-yl 2-methylpropanoate;bis(tert-butyl 2-methylpropanoate);bis(2-cyclohexylpropan-2-yl 2-methylpropanoate);ethane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate;(1-methylcyclohexyl) 2-methylpropanoate;(1-methylcyclopentyl) 2-methylpropanoate?

The canonical SMILES for 2-(1-adamantyl)propan-2-yl 2-methylpropanoate;bis(tert-butyl 2-methylpropanoate);bis(2-cyclohexylpropan-2-yl 2-methylpropanoate);ethane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate;(1-methylcyclohexyl) 2-methylpropanoate;(1-methylcyclopentyl) 2-methylpropanoate is CC.CC.CC.CC.CC.CC(C)C(=O)OC(C)(C)C.CC(C)C(=O)OC(C)(C)C.CC(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CC(C)C(=O)OC(C)(C)C1CCCCC1.CC(C)C(=O)OC(C)(C)C1CCCCC1.CC(C)C(=O)OC1(C)CC2CCC1C2.CC(C)C(=O)OC1(C)CCCC1.CC(C)C(=O)OC1(C)CCCCC1.

What is the InChIKey of 2-(1-adamantyl)propan-2-yl 2-methylpropanoate;bis(tert-butyl 2-methylpropanoate);bis(2-cyclohexylpropan-2-yl 2-methylpropanoate);ethane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate;(1-methylcyclohexyl) 2-methylpropanoate;(1-methylcyclopentyl) 2-methylpropanoate?

The InChIKey is ZQYFIQHUUMQXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2.2C13H24O2.C12H20O2.C11H20O2.C10H18O2.2C8H16O2.5C2H6/c1-11(2)15(18)19-16(3,4)17-8-12-5-13(9-17)7-14(6-12)10-17;2*1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11;1-8(2)11(13)14-12(3)7-9-4-5-10(12)6-9;1-9(2)10(12)13-11(3)7-5-4-6-8-11;1-8(2)9(11)12-10(3)6-4-5-7-10;2*1-6(2)7(9)10-8(3,4)5;5*1-2/h11-14H,5-10H2,1-4H3;2*10-11H,5-9H2,1-4H3;8-10H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;2*6H,1-5H3;5*1-2H3.

What are the key properties of 2-(1-adamantyl)propan-2-yl 2-methylpropanoate;bis(tert-butyl 2-methylpropanoate);bis(2-cyclohexylpropan-2-yl 2-methylpropanoate);ethane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate;(1-methylcyclohexyl) 2-methylpropanoate;(1-methylcyclopentyl) 2-methylpropanoate?

2-(1-adamantyl)propan-2-yl 2-methylpropanoate;bis(tert-butyl 2-methylpropanoate);bis(2-cyclohexylpropan-2-yl 2-methylpropanoate);ethane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate;(1-methylcyclohexyl) 2-methylpropanoate;(1-methylcyclopentyl) 2-methylpropanoate has a molecular weight of 1678.67 g/mol, XLogP of 28.56, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)propan-2-yl 2-methylpropanoate;bis(tert-butyl 2-methylpropanoate);bis(2-cyclohexylpropan-2-yl 2-methylpropanoate);ethane;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate;(1-methylcyclohexyl) 2-methylpropanoate;(1-methylcyclopentyl) 2-methylpropanoate is sourced from PubChem (CID 162196008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).