bicyclo[2.2.1]heptane;bis(tert-butyl 2,2-dimethylbutanoate);2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylpropan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate;2-phenylbutan-2-yl 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate

C192H304O24 — CID 162103913

About bicyclo[2.2.1]heptane;bis(tert-butyl 2,2-dimethylbutanoate);2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylpropan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate;2-phenylbutan-2-yl 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate

bicyclo[2.2.1]heptane;bis(tert-butyl 2,2-dimethylbutanoate);2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylpropan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate;2-phenylbutan-2-yl 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate (PubChem CID 162103913) has the molecular formula C192H304O24 and a molecular weight of 2996.52 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane;bis(tert-butyl 2,2-dimethylbutanoate);2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylpropan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate;2-phenylbutan-2-yl 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: bicyclo[2.2.1]heptane;bis(tert-butyl 2,2-dimethylbutanoate);2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylpropan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate;2-phenylbutan-2-yl 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate
• PubChem CID: 162103913
• Molecular Formula: C192H304O24
• Molecular Weight: 2996.52 g/mol
• Exact Mass: 2994.26
• IUPAC Name: bicyclo[2.2.1]heptane;bis(tert-butyl 2,2-dimethylbutanoate);2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylpropan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate;2-phenylbutan-2-yl 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate
• SMILES: C1CC2CCC1C2.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C1CCCC1.CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OC(C)(C)c1ccc2ccccc2c1.CCC(C)(C)C(=O)OC(C)(C)c1cccc2ccccc12.CCC(C)(C)C(=O)OC(C)(C)c1ccccc1.CCC(C)(C)C(=O)OC(C)(CC)C1CCCCC1.CCC(C)(C)C(=O)OC(C)(CC)c1ccc2ccccc2c1.CCC(C)(C)C(=O)OC(C)(CC)c1cccc2ccccc12.CCC(C)(C)C(=O)OC(C)(CC)c1ccccc1.CCC(C)(C)OC(=O)C(C)(C)CC
• InChI: InChI=1S/2C20H26O2.2C19H24O2.C16H30O2.C16H24O2.C15H28O2.C15H22O2.C14H26O2.C11H22O2.2C10H20O2.C7H12/c1-6-19(3,4)18(21)22-20(5,7-2)17-14-10-12-15-11-8-9-13-16(15)17;1-6-19(3,4)18(21)22-20(5,7-2)17-13-12-15-10-8-9-11-16(15)14-17;1-6-18(2,3)17(20)21-19(4,5)16-13-9-11-14-10-7-8-12-15(14)16;1-6-18(2,3)17(20)21-19(4,5)16-12-11-14-9-7-8-10-15(14)13-16;2*1-6-15(3,4)14(17)18-16(5,7-2)13-11-9-8-10-12-13;2*1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-6-13(2,3)12(15)16-14(4,5)11-9-7-8-10-11;1-7-10(3,4)9(12)13-11(5,6)8-2;2*1-7-10(5,6)8(11)12-9(2,3)4;1-2-7-4-3-6(1)5-7/h2*8-14H,6-7H2,1-5H3;2*7-13H,6H2,1-5H3;13H,6-12H2,1-5H3;8-12H,6-7H2,1-5H3;12H,6-11H2,1-5H3;7-11H,6H2,1-5H3;11H,6-10H2,1-5H3;7-8H2,1-6H3;2*7H2,1-6H3;6-7H,1-5H2
• InChIKey: ZFGFKIDBDHSORK-UHFFFAOYSA-N
• XLogP: 53.04
• TPSA: 315.60 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 48
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2996.52
LogP ≤ 5	53.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane;bis(tert-butyl 2,2-dimethylbutanoate);2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylpropan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate;2-phenylbutan-2-yl 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate?

The IUPAC name of bicyclo[2.2.1]heptane;bis(tert-butyl 2,2-dimethylbutanoate);2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylpropan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate;2-phenylbutan-2-yl 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate (CID 162103913) is bicyclo[2.2.1]heptane;bis(tert-butyl 2,2-dimethylbutanoate);2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylpropan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate;2-phenylbutan-2-yl 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate.

What is the SMILES notation for bicyclo[2.2.1]heptane;bis(tert-butyl 2,2-dimethylbutanoate);2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylpropan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate;2-phenylbutan-2-yl 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate?

The canonical SMILES for bicyclo[2.2.1]heptane;bis(tert-butyl 2,2-dimethylbutanoate);2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylpropan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate;2-phenylbutan-2-yl 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate is C1CC2CCC1C2.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C1CCCC1.CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OC(C)(C)c1ccc2ccccc2c1.CCC(C)(C)C(=O)OC(C)(C)c1cccc2ccccc12.CCC(C)(C)C(=O)OC(C)(C)c1ccccc1.CCC(C)(C)C(=O)OC(C)(CC)C1CCCCC1.CCC(C)(C)C(=O)OC(C)(CC)c1ccc2ccccc2c1.CCC(C)(C)C(=O)OC(C)(CC)c1cccc2ccccc12.CCC(C)(C)C(=O)OC(C)(CC)c1ccccc1.CCC(C)(C)OC(=O)C(C)(C)CC.

What is the InChIKey of bicyclo[2.2.1]heptane;bis(tert-butyl 2,2-dimethylbutanoate);2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylpropan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate;2-phenylbutan-2-yl 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate?

The InChIKey is ZFGFKIDBDHSORK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H26O2.2C19H24O2.C16H30O2.C16H24O2.C15H28O2.C15H22O2.C14H26O2.C11H22O2.2C10H20O2.C7H12/c1-6-19(3,4)18(21)22-20(5,7-2)17-14-10-12-15-11-8-9-13-16(15)17;1-6-19(3,4)18(21)22-20(5,7-2)17-13-12-15-10-8-9-11-16(15)14-17;1-6-18(2,3)17(20)21-19(4,5)16-13-9-11-14-10-7-8-12-15(14)16;1-6-18(2,3)17(20)21-19(4,5)16-12-11-14-9-7-8-10-15(14)13-16;2*1-6-15(3,4)14(17)18-16(5,7-2)13-11-9-8-10-12-13;2*1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-6-13(2,3)12(15)16-14(4,5)11-9-7-8-10-11;1-7-10(3,4)9(12)13-11(5,6)8-2;2*1-7-10(5,6)8(11)12-9(2,3)4;1-2-7-4-3-6(1)5-7/h2*8-14H,6-7H2,1-5H3;2*7-13H,6H2,1-5H3;13H,6-12H2,1-5H3;8-12H,6-7H2,1-5H3;12H,6-11H2,1-5H3;7-11H,6H2,1-5H3;11H,6-10H2,1-5H3;7-8H2,1-6H3;2*7H2,1-6H3;6-7H,1-5H2.

What are the key properties of bicyclo[2.2.1]heptane;bis(tert-butyl 2,2-dimethylbutanoate);2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylpropan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate;2-phenylbutan-2-yl 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate?

bicyclo[2.2.1]heptane;bis(tert-butyl 2,2-dimethylbutanoate);2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylpropan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate;2-phenylbutan-2-yl 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate has a molecular weight of 2996.52 g/mol, XLogP of 53.04, 48 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bicyclo[2.2.1]heptane;bis(tert-butyl 2,2-dimethylbutanoate);2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylbutan-2-yl 2,2-dimethylbutanoate;2-naphthalen-1-ylpropan-2-yl 2,2-dimethylbutanoate;2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate;2-phenylbutan-2-yl 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 162103913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).