(4-ethyl-4-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)methyl 2,2-dimethylbutanoate;(4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-cyclohexene]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]-8-ylmethyl 2,2-dimethylbutanoate

C114H182O24 — CID 160621975

About (4-ethyl-4-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)methyl 2,2-dimethylbutanoate;(4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-cyclohexene]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]-8-ylmethyl 2,2-dimethylbutanoate

(4-ethyl-4-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)methyl 2,2-dimethylbutanoate;(4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-cyclohexene]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]-8-ylmethyl 2,2-dimethylbutanoate (PubChem CID 160621975) has the molecular formula C114H182O24 and a molecular weight of 1936.69 g/mol. Its IUPAC name is (4-ethyl-4-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)methyl 2,2-dimethylbutanoate;(4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-cyclohexene]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]-8-ylmethyl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: (4-ethyl-4-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)methyl 2,2-dimethylbutanoate;(4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-cyclohexene]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]-8-ylmethyl 2,2-dimethylbutanoate
• PubChem CID: 160621975
• Molecular Formula: C114H182O24
• Molecular Weight: 1936.69 g/mol
• Exact Mass: 1935.30
• IUPAC Name: (4-ethyl-4-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)methyl 2,2-dimethylbutanoate;(4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-cyclohexene]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]-8-ylmethyl 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OCC1CC2CC1C1OC3(CCCCC3)OC21.CCC(C)(C)C(=O)OCC1CCC2OC(c3ccccc3)OC2C1.CCC(C)(C)C(=O)OCC1CCC2OC3(C=CCCC3)OC2C1.CCC(C)(C)C(=O)OCC1CCC2OC3(CCCCC3)OC2C1.CCC1(C)OC2C3CC(COC(=O)C(C)(C)CC)C(C3)C2O1.CCCC1OC2C3CC(COC(=O)C(C)(C)CC)C(C3)C2O1
• InChI: InChI=1S/C20H32O4.C20H28O4.C19H32O4.C19H30O4.2C18H30O4/c1-4-19(2,3)18(21)22-12-14-10-13-11-15(14)17-16(13)23-20(24-17)8-6-5-7-9-20;1-4-20(2,3)19(21)22-13-14-10-11-16-17(12-14)24-18(23-16)15-8-6-5-7-9-15;2*1-4-18(2,3)17(20)21-13-14-8-9-15-16(12-14)23-19(22-15)10-6-5-7-11-19;1-6-17(3,4)16(19)20-10-12-8-11-9-13(12)15-14(11)21-18(5,7-2)22-15;1-5-7-14-21-15-11-8-12(13(9-11)16(15)22-14)10-20-17(19)18(3,4)6-2/h13-17H,4-12H2,1-3H3;5-9,14,16-18H,4,10-13H2,1-3H3;14-16H,4-13H2,1-3H3;6,10,14-16H,4-5,7-9,11-13H2,1-3H3;11-15H,6-10H2,1-5H3;11-16H,5-10H2,1-4H3
• InChIKey: RGUXZQNHTPBLCM-UHFFFAOYSA-N
• XLogP: 23.58
• TPSA: 268.56 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1936.69
LogP ≤ 5	23.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-4-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)methyl 2,2-dimethylbutanoate;(4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-cyclohexene]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]-8-ylmethyl 2,2-dimethylbutanoate?

The IUPAC name of (4-ethyl-4-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)methyl 2,2-dimethylbutanoate;(4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-cyclohexene]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]-8-ylmethyl 2,2-dimethylbutanoate (CID 160621975) is (4-ethyl-4-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)methyl 2,2-dimethylbutanoate;(4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-cyclohexene]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]-8-ylmethyl 2,2-dimethylbutanoate.

What is the SMILES notation for (4-ethyl-4-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)methyl 2,2-dimethylbutanoate;(4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-cyclohexene]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]-8-ylmethyl 2,2-dimethylbutanoate?

The canonical SMILES for (4-ethyl-4-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)methyl 2,2-dimethylbutanoate;(4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-cyclohexene]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]-8-ylmethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC1CC2CC1C1OC3(CCCCC3)OC21.CCC(C)(C)C(=O)OCC1CCC2OC(c3ccccc3)OC2C1.CCC(C)(C)C(=O)OCC1CCC2OC3(C=CCCC3)OC2C1.CCC(C)(C)C(=O)OCC1CCC2OC3(CCCCC3)OC2C1.CCC1(C)OC2C3CC(COC(=O)C(C)(C)CC)C(C3)C2O1.CCCC1OC2C3CC(COC(=O)C(C)(C)CC)C(C3)C2O1.

What is the InChIKey of (4-ethyl-4-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)methyl 2,2-dimethylbutanoate;(4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-cyclohexene]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]-8-ylmethyl 2,2-dimethylbutanoate?

The InChIKey is RGUXZQNHTPBLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4.C20H28O4.C19H32O4.C19H30O4.2C18H30O4/c1-4-19(2,3)18(21)22-12-14-10-13-11-15(14)17-16(13)23-20(24-17)8-6-5-7-9-20;1-4-20(2,3)19(21)22-13-14-10-11-16-17(12-14)24-18(23-16)15-8-6-5-7-9-15;2*1-4-18(2,3)17(20)21-13-14-8-9-15-16(12-14)23-19(22-15)10-6-5-7-11-19;1-6-17(3,4)16(19)20-10-12-8-11-9-13(12)15-14(11)21-18(5,7-2)22-15;1-5-7-14-21-15-11-8-12(13(9-11)16(15)22-14)10-20-17(19)18(3,4)6-2/h13-17H,4-12H2,1-3H3;5-9,14,16-18H,4,10-13H2,1-3H3;14-16H,4-13H2,1-3H3;6,10,14-16H,4-5,7-9,11-13H2,1-3H3;11-15H,6-10H2,1-5H3;11-16H,5-10H2,1-4H3.

What are the key properties of (4-ethyl-4-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)methyl 2,2-dimethylbutanoate;(4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-cyclohexene]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]-8-ylmethyl 2,2-dimethylbutanoate?

(4-ethyl-4-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)methyl 2,2-dimethylbutanoate;(4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-cyclohexene]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]-8-ylmethyl 2,2-dimethylbutanoate has a molecular weight of 1936.69 g/mol, XLogP of 23.58, 28 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (4-ethyl-4-methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)methyl 2,2-dimethylbutanoate;(4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)methyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,3'-cyclohexene]-5-ylmethyl 2,2-dimethylbutanoate;spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]-8-ylmethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 160621975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).