2,2-dimethylpropoxymethyl 3,5-diethyl-8-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;2,2-dimethylpropoxymethyl 3,5-diethyl-9-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;methoxymethyl 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoate;methoxymethyl 3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylate

C84H142O15 — CID 158921117

About 2,2-dimethylpropoxymethyl 3,5-diethyl-8-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;2,2-dimethylpropoxymethyl 3,5-diethyl-9-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;methoxymethyl 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoate;methoxymethyl 3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylate

2,2-dimethylpropoxymethyl 3,5-diethyl-8-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;2,2-dimethylpropoxymethyl 3,5-diethyl-9-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;methoxymethyl 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoate;methoxymethyl 3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylate (PubChem CID 158921117) has the molecular formula C84H142O15 and a molecular weight of 1392.04 g/mol. Its IUPAC name is 2,2-dimethylpropoxymethyl 3,5-diethyl-8-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;2,2-dimethylpropoxymethyl 3,5-diethyl-9-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;methoxymethyl 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoate;methoxymethyl 3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylate.

Molecular Properties

• Compound Name: 2,2-dimethylpropoxymethyl 3,5-diethyl-8-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;2,2-dimethylpropoxymethyl 3,5-diethyl-9-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;methoxymethyl 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoate;methoxymethyl 3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylate
• PubChem CID: 158921117
• Molecular Formula: C84H142O15
• Molecular Weight: 1392.04 g/mol
• Exact Mass: 1391.03
• IUPAC Name: 2,2-dimethylpropoxymethyl 3,5-diethyl-8-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;2,2-dimethylpropoxymethyl 3,5-diethyl-9-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;methoxymethyl 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoate;methoxymethyl 3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylate
• SMILES: CCC1CC(CC)C2C1C1CC2C(C)(C(=O)OCOCC(C)(C)C)C1.CCC1CC(CC)C2C3CC(C(C)C3C(=O)OCOCC(C)(C)C)C12.CCC1CC(CC)C2C3CC(C(COC)C3C(=O)OCOC)C12.CCC1CC(CC)C2C3CC(CC3C(CC(=O)OCOC)OC(C)=O)C12
• InChI: InChI=1S/2C22H38O3.C21H34O5.C19H32O4/c1-7-14-9-15(8-2)19-17-10-16(18(14)19)11-22(17,6)20(23)25-13-24-12-21(3,4)5;1-7-14-9-15(8-2)20-17-10-16(19(14)20)13(3)18(17)21(23)25-12-24-11-22(4,5)6;1-5-13-7-14(6-2)21-17-9-15(20(13)21)8-16(17)18(26-12(3)22)10-19(23)25-11-24-4;1-5-11-7-12(6-2)17-14-8-13(16(11)17)15(9-21-3)18(14)19(20)23-10-22-4/h14-19H,7-13H2,1-6H3;13-20H,7-12H2,1-6H3;13-18,20-21H,5-11H2,1-4H3;11-18H,5-10H2,1-4H3
• InChIKey: JHVPRVUMSJFEGP-UHFFFAOYSA-N
• XLogP: 17.58
• 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	1392.04
LogP ≤ 5	17.58
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 2,2-dimethylpropoxymethyl 3,5-diethyl-8-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;2,2-dimethylpropoxymethyl 3,5-diethyl-9-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;methoxymethyl 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoate;methoxymethyl 3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylate?

The IUPAC name of 2,2-dimethylpropoxymethyl 3,5-diethyl-8-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;2,2-dimethylpropoxymethyl 3,5-diethyl-9-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;methoxymethyl 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoate;methoxymethyl 3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylate (CID 158921117) is 2,2-dimethylpropoxymethyl 3,5-diethyl-8-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;2,2-dimethylpropoxymethyl 3,5-diethyl-9-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;methoxymethyl 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoate;methoxymethyl 3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylate.

What is the SMILES notation for 2,2-dimethylpropoxymethyl 3,5-diethyl-8-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;2,2-dimethylpropoxymethyl 3,5-diethyl-9-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;methoxymethyl 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoate;methoxymethyl 3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylate?

The canonical SMILES for 2,2-dimethylpropoxymethyl 3,5-diethyl-8-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;2,2-dimethylpropoxymethyl 3,5-diethyl-9-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;methoxymethyl 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoate;methoxymethyl 3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylate is CCC1CC(CC)C2C1C1CC2C(C)(C(=O)OCOCC(C)(C)C)C1.CCC1CC(CC)C2C3CC(C(C)C3C(=O)OCOCC(C)(C)C)C12.CCC1CC(CC)C2C3CC(C(COC)C3C(=O)OCOC)C12.CCC1CC(CC)C2C3CC(CC3C(CC(=O)OCOC)OC(C)=O)C12.

What is the InChIKey of 2,2-dimethylpropoxymethyl 3,5-diethyl-8-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;2,2-dimethylpropoxymethyl 3,5-diethyl-9-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;methoxymethyl 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoate;methoxymethyl 3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylate?

The InChIKey is JHVPRVUMSJFEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H38O3.C21H34O5.C19H32O4/c1-7-14-9-15(8-2)19-17-10-16(18(14)19)11-22(17,6)20(23)25-13-24-12-21(3,4)5;1-7-14-9-15(8-2)20-17-10-16(19(14)20)13(3)18(17)21(23)25-12-24-11-22(4,5)6;1-5-13-7-14(6-2)21-17-9-15(20(13)21)8-16(17)18(26-12(3)22)10-19(23)25-11-24-4;1-5-11-7-12(6-2)17-14-8-13(16(11)17)15(9-21-3)18(14)19(20)23-10-22-4/h14-19H,7-13H2,1-6H3;13-20H,7-12H2,1-6H3;13-18,20-21H,5-11H2,1-4H3;11-18H,5-10H2,1-4H3.

What are the key properties of 2,2-dimethylpropoxymethyl 3,5-diethyl-8-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;2,2-dimethylpropoxymethyl 3,5-diethyl-9-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;methoxymethyl 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoate;methoxymethyl 3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylate?

2,2-dimethylpropoxymethyl 3,5-diethyl-8-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;2,2-dimethylpropoxymethyl 3,5-diethyl-9-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;methoxymethyl 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoate;methoxymethyl 3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylate has a molecular weight of 1392.04 g/mol, XLogP of 17.58, 27 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethylpropoxymethyl 3,5-diethyl-8-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;2,2-dimethylpropoxymethyl 3,5-diethyl-9-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;methoxymethyl 3-acetyloxy-3-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)propanoate;methoxymethyl 3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylate is sourced from PubChem (CID 158921117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).