2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;1,1-dicyclohexylethyl 2,2-dimethylbutanoate;ethane;methane;(1-methylcycloheptyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate

C116H252O12 — CID 158095029

About 2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;1,1-dicyclohexylethyl 2,2-dimethylbutanoate;ethane;methane;(1-methylcycloheptyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate

2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;1,1-dicyclohexylethyl 2,2-dimethylbutanoate;ethane;methane;(1-methylcycloheptyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate (PubChem CID 158095029) has the molecular formula C116H252O12 and a molecular weight of 1839.28 g/mol. Its IUPAC name is 2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;1,1-dicyclohexylethyl 2,2-dimethylbutanoate;ethane;methane;(1-methylcycloheptyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: 2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;1,1-dicyclohexylethyl 2,2-dimethylbutanoate;ethane;methane;(1-methylcycloheptyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate
• PubChem CID: 158095029
• Molecular Formula: C116H252O12
• Molecular Weight: 1839.28 g/mol
• Exact Mass: 1837.91
• IUPAC Name: 2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;1,1-dicyclohexylethyl 2,2-dimethylbutanoate;ethane;methane;(1-methylcycloheptyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.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)(C1CCCCC1)C1CCCCC1.CCC(C)(C)C(=O)OC1(C)CC2CCC1(C)C2(C)C.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OC1(C)CCCCCC1
• InChI: InChI=1S/C20H36O2.C17H30O2.C15H28O2.2C14H26O2.C12H22O2.6C2H6.12CH4/c1-5-19(2,3)18(21)22-20(4,16-12-8-6-9-13-16)17-14-10-7-11-15-17;1-8-14(2,3)13(18)19-17(7)11-12-9-10-16(17,6)15(12,4)5;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;1-5-13(2,3)12(15)16-14(4)10-8-6-7-9-11-14;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12;6*1-2;;;;;;;;;;;;/h16-17H,5-15H2,1-4H3;12H,8-11H2,1-7H3;12H,6-11H2,1-5H3;11H,6-10H2,1-5H3;5-11H2,1-4H3;5-9H2,1-4H3;6*1-2H3;12*1H4
• InChIKey: FOOJAWBFNDMYNQ-UHFFFAOYSA-N
• XLogP: 39.88
• TPSA: 157.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1839.28
LogP ≤ 5	39.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;1,1-dicyclohexylethyl 2,2-dimethylbutanoate;ethane;methane;(1-methylcycloheptyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate?

The IUPAC name of 2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;1,1-dicyclohexylethyl 2,2-dimethylbutanoate;ethane;methane;(1-methylcycloheptyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate (CID 158095029) is 2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;1,1-dicyclohexylethyl 2,2-dimethylbutanoate;ethane;methane;(1-methylcycloheptyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate.

What is the SMILES notation for 2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;1,1-dicyclohexylethyl 2,2-dimethylbutanoate;ethane;methane;(1-methylcycloheptyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate?

The canonical SMILES for 2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;1,1-dicyclohexylethyl 2,2-dimethylbutanoate;ethane;methane;(1-methylcycloheptyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate is C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.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)(C1CCCCC1)C1CCCCC1.CCC(C)(C)C(=O)OC1(C)CC2CCC1(C)C2(C)C.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OC1(C)CCCCCC1.

What is the InChIKey of 2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;1,1-dicyclohexylethyl 2,2-dimethylbutanoate;ethane;methane;(1-methylcycloheptyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate?

The InChIKey is FOOJAWBFNDMYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2.C17H30O2.C15H28O2.2C14H26O2.C12H22O2.6C2H6.12CH4/c1-5-19(2,3)18(21)22-20(4,16-12-8-6-9-13-16)17-14-10-7-11-15-17;1-8-14(2,3)13(18)19-17(7)11-12-9-10-16(17,6)15(12,4)5;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;1-5-13(2,3)12(15)16-14(4)10-8-6-7-9-11-14;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12;6*1-2;;;;;;;;;;;;/h16-17H,5-15H2,1-4H3;12H,8-11H2,1-7H3;12H,6-11H2,1-5H3;11H,6-10H2,1-5H3;5-11H2,1-4H3;5-9H2,1-4H3;6*1-2H3;12*1H4.

What are the key properties of 2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;1,1-dicyclohexylethyl 2,2-dimethylbutanoate;ethane;methane;(1-methylcycloheptyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate?

2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;1,1-dicyclohexylethyl 2,2-dimethylbutanoate;ethane;methane;(1-methylcycloheptyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate has a molecular weight of 1839.28 g/mol, XLogP of 39.88, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;1,1-dicyclohexylethyl 2,2-dimethylbutanoate;ethane;methane;(1-methylcycloheptyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 158095029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).