(2-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2,2-dimethylbutanoate

C₈₄H₁₅₀O₁₅ — CID 159655555

About (2-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2,2-dimethylbutanoate

(2-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2,2-dimethylbutanoate (PubChem CID 159655555) has the molecular formula C₈₄H₁₅₀O₁₅ and a molecular weight of 1400.11 g/mol. Its IUPAC name is (2-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: (2-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2,2-dimethylbutanoate
• PubChem CID: 159655555
• Molecular Formula: C₈₄H₁₅₀O₁₅
• Molecular Weight: 1400.11 g/mol
• Exact Mass: 1399.10
• IUPAC Name: (2-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C)OC1C2(C)CCC(C2)C1(C)C.CCC(C)(C)C(=O)OC(C)OC1CC2CCC1(C)C2(C)C.CCC(C)(C)C(=O)OCOC1CC2CCC1(C)C2(C)C.CCC(C)(C)C(=O)OCOCC1(C)CC2CCC1C2.CCC(C)(C)C(=O)OCOCC1(C)CCCCC1
• InChI: InChI=1S/2C18H32O3.C17H30O3.C16H28O3.C15H28O3/c1-8-16(3,4)15(19)21-12(2)20-14-17(5,6)13-9-10-18(14,7)11-13;1-8-16(3,4)15(19)21-12(2)20-14-11-13-9-10-18(14,7)17(13,5)6;1-7-15(2,3)14(18)20-11-19-13-10-12-8-9-17(13,6)16(12,4)5;1-5-15(2,3)14(17)19-11-18-10-16(4)9-12-6-7-13(16)8-12;1-5-14(2,3)13(16)18-12-17-11-15(4)9-7-6-8-10-15/h2*12-14H,8-11H2,1-7H3;12-13H,7-11H2,1-6H3;12-13H,5-11H2,1-4H3;5-12H2,1-4H3
• InChIKey: MSCYJVWOLOHWQC-UHFFFAOYSA-N
• XLogP: 20.92
• TPSA: 177.65 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 27
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1400.11
LogP ≤ 5	20.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2,2-dimethylbutanoate?

The IUPAC name of (2-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2,2-dimethylbutanoate (CID 159655555) is (2-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2,2-dimethylbutanoate.

What is the SMILES notation for (2-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2,2-dimethylbutanoate?

The canonical SMILES for (2-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)OC1C2(C)CCC(C2)C1(C)C.CCC(C)(C)C(=O)OC(C)OC1CC2CCC1(C)C2(C)C.CCC(C)(C)C(=O)OCOC1CC2CCC1(C)C2(C)C.CCC(C)(C)C(=O)OCOCC1(C)CC2CCC1C2.CCC(C)(C)C(=O)OCOCC1(C)CCCCC1.

What is the InChIKey of (2-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2,2-dimethylbutanoate?

The InChIKey is MSCYJVWOLOHWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H32O3.C17H30O3.C16H28O3.C15H28O3/c1-8-16(3,4)15(19)21-12(2)20-14-17(5,6)13-9-10-18(14,7)11-13;1-8-16(3,4)15(19)21-12(2)20-14-11-13-9-10-18(14,7)17(13,5)6;1-7-15(2,3)14(18)20-11-19-13-10-12-8-9-17(13,6)16(12,4)5;1-5-15(2,3)14(17)19-11-18-10-16(4)9-12-6-7-13(16)8-12;1-5-14(2,3)13(16)18-12-17-11-15(4)9-7-6-8-10-15/h2*12-14H,8-11H2,1-7H3;12-13H,7-11H2,1-6H3;12-13H,5-11H2,1-4H3;5-12H2,1-4H3.

What are the key properties of (2-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2,2-dimethylbutanoate?

(2-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2,2-dimethylbutanoate has a molecular weight of 1400.11 g/mol, XLogP of 20.92, 27 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl 2,2-dimethylbutanoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 159655555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159655555 — identifiers, structure, computed properties (public domain)

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