(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1-methylcycloheptyl) 2-methylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate

C104H182O14 — CID 158233653

About (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1-methylcycloheptyl) 2-methylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate

(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1-methylcycloheptyl) 2-methylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate (PubChem CID 158233653) has the molecular formula C104H182O14 and a molecular weight of 1656.59 g/mol. Its IUPAC name is (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1-methylcycloheptyl) 2-methylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate.

Molecular Properties

• Compound Name: (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1-methylcycloheptyl) 2-methylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
• PubChem CID: 158233653
• Molecular Formula: C104H182O14
• Molecular Weight: 1656.59 g/mol
• Exact Mass: 1655.35
• IUPAC Name: (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1-methylcycloheptyl) 2-methylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
• SMILES: CCC(C)(C)C(=O)OC1(C)C2(C)CCC(C2)C1(C)C.CCC(C)(C)C(=O)OC1(CC)CC2CCC1C2.CCC(C)C(=O)OC1(C)C2(C)CCC(C2)C1(C)C.CCC(C)C(=O)OC1(C)CC2CCC1(C)C2(C)C.CCC(C)C(=O)OC1(C)CC2CCC1C2.CCC(C)C(=O)OC1(C)CCCCCC1.CCC(C)C(=O)OC1(CC)CC2CCC1C2
• InChI: InChI=1S/C17H30O2.2C16H28O2.C15H26O2.C14H24O2.C13H22O2.C13H24O2/c1-8-14(2,3)13(18)19-17(7)15(4,5)12-9-10-16(17,6)11-12;1-7-11(2)13(17)18-16(6)10-12-8-9-15(16,5)14(12,3)4;1-7-11(2)13(17)18-16(6)14(3,4)12-8-9-15(16,5)10-12;1-5-14(3,4)13(16)17-15(6-2)10-11-7-8-12(15)9-11;1-4-10(3)13(15)16-14(5-2)9-11-6-7-12(14)8-11;1-4-9(2)12(14)15-13(3)8-10-5-6-11(13)7-10;1-4-11(2)12(14)15-13(3)9-7-5-6-8-10-13/h12H,8-11H2,1-7H3;2*11-12H,7-10H2,1-6H3;11-12H,5-10H2,1-4H3;10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;11H,4-10H2,1-3H3
• InChIKey: GERQVWRRTPMINN-UHFFFAOYSA-N
• XLogP: 27.25
• TPSA: 184.10 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 23
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1656.59
LogP ≤ 5	27.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1-methylcycloheptyl) 2-methylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?

The IUPAC name of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1-methylcycloheptyl) 2-methylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate (CID 158233653) is (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1-methylcycloheptyl) 2-methylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate.

What is the SMILES notation for (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1-methylcycloheptyl) 2-methylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?

The canonical SMILES for (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1-methylcycloheptyl) 2-methylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate is CCC(C)(C)C(=O)OC1(C)C2(C)CCC(C2)C1(C)C.CCC(C)(C)C(=O)OC1(CC)CC2CCC1C2.CCC(C)C(=O)OC1(C)C2(C)CCC(C2)C1(C)C.CCC(C)C(=O)OC1(C)CC2CCC1(C)C2(C)C.CCC(C)C(=O)OC1(C)CC2CCC1C2.CCC(C)C(=O)OC1(C)CCCCCC1.CCC(C)C(=O)OC1(CC)CC2CCC1C2.

What is the InChIKey of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1-methylcycloheptyl) 2-methylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?

The InChIKey is GERQVWRRTPMINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2.2C16H28O2.C15H26O2.C14H24O2.C13H22O2.C13H24O2/c1-8-14(2,3)13(18)19-17(7)15(4,5)12-9-10-16(17,6)11-12;1-7-11(2)13(17)18-16(6)10-12-8-9-15(16,5)14(12,3)4;1-7-11(2)13(17)18-16(6)14(3,4)12-8-9-15(16,5)10-12;1-5-14(3,4)13(16)17-15(6-2)10-11-7-8-12(15)9-11;1-4-10(3)13(15)16-14(5-2)9-11-6-7-12(14)8-11;1-4-9(2)12(14)15-13(3)8-10-5-6-11(13)7-10;1-4-11(2)12(14)15-13(3)9-7-5-6-8-10-13/h12H,8-11H2,1-7H3;2*11-12H,7-10H2,1-6H3;11-12H,5-10H2,1-4H3;10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;11H,4-10H2,1-3H3.

What are the key properties of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1-methylcycloheptyl) 2-methylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?

(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1-methylcycloheptyl) 2-methylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate has a molecular weight of 1656.59 g/mol, XLogP of 27.25, 23 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1-methylcycloheptyl) 2-methylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate is sourced from PubChem (CID 158233653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).