6,6-diethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;6,6-dimethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;methyl 2-methylprop-2-enoate;hexakis(methyl prop-2-enoate);5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;spiro[4,10-dioxatricyclo[5.2.1.02,6]decane-5,1'-cyclohexane]-3-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclohexane]-4-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclopentane]-4-one

C123H174O29 — CID 158152164

About 6,6-diethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;6,6-dimethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;methyl 2-methylprop-2-enoate;hexakis(methyl prop-2-enoate);5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;spiro[4,10-dioxatricyclo[5.2.1.02,6]decane-5,1'-cyclohexane]-3-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclohexane]-4-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclopentane]-4-one

6,6-diethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;6,6-dimethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;methyl 2-methylprop-2-enoate;hexakis(methyl prop-2-enoate);5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;spiro[4,10-dioxatricyclo[5.2.1.02,6]decane-5,1'-cyclohexane]-3-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclohexane]-4-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclopentane]-4-one (PubChem CID 158152164) has the molecular formula C123H174O29 and a molecular weight of 2116.72 g/mol. Its IUPAC name is 6,6-diethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;6,6-dimethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;methyl 2-methylprop-2-enoate;hexakis(methyl prop-2-enoate);5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;spiro[4,10-dioxatricyclo[5.2.1.02,6]decane-5,1'-cyclohexane]-3-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclohexane]-4-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclopentane]-4-one.

Molecular Properties

• Compound Name: 6,6-diethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;6,6-dimethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;methyl 2-methylprop-2-enoate;hexakis(methyl prop-2-enoate);5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;spiro[4,10-dioxatricyclo[5.2.1.02,6]decane-5,1'-cyclohexane]-3-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclohexane]-4-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclopentane]-4-one
• PubChem CID: 158152164
• Molecular Formula: C123H174O29
• Molecular Weight: 2116.72 g/mol
• Exact Mass: 2115.21
• IUPAC Name: 6,6-diethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;6,6-dimethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;methyl 2-methylprop-2-enoate;hexakis(methyl prop-2-enoate);5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;spiro[4,10-dioxatricyclo[5.2.1.02,6]decane-5,1'-cyclohexane]-3-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclohexane]-4-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclopentane]-4-one
• SMILES: C=C(C)C(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.CC1(C)OC(=O)C2C3C4CCC(C4)C3C21.CC1(C)OC(=O)C2C3CCC(C3)C21.CCC1(CC)OC(=O)C2C3C4CCC(C4)C3C21.O=C1OC2(CCCC2)C2C1C1C3CCC(C3)C12.O=C1OC2(CCCCC2)C2C1C1C3CCC(C3)C12.O=C1OC2(CCCCC2)C2C3CCC(O3)C12.O=C1OCC2C1C1C3CCC(C3)C21
• InChI: InChI=1S/C16H22O2.C15H20O2.C15H22O2.C13H18O3.C13H18O2.C11H14O2.C11H16O2.C5H8O2.6C4H6O2/c17-15-13-11-9-4-5-10(8-9)12(11)14(13)16(18-15)6-2-1-3-7-16;16-14-12-10-8-3-4-9(7-8)11(10)13(12)15(17-14)5-1-2-6-15;1-3-15(4-2)13-11-9-6-5-8(7-9)10(11)12(13)14(16)17-15;14-12-10-8-4-5-9(15-8)11(10)13(16-12)6-2-1-3-7-13;1-13(2)11-9-7-4-3-6(5-7)8(9)10(11)12(14)15-13;12-11-10-7(4-13-11)8-5-1-2-6(3-5)9(8)10;1-11(2)9-7-4-3-6(5-7)8(9)10(12)13-11;1-4(2)5(6)7-3;6*1-3-4(5)6-2/h9-14H,1-8H2;8-13H,1-7H2;8-13H,3-7H2,1-2H3;8-11H,1-7H2;6-11H,3-5H2,1-2H3;5-10H,1-4H2;6-9H,3-5H2,1-2H3;1H2,2-3H3;6*3H,1H2,2H3
• InChIKey: FVFYWBDPBYYAEH-UHFFFAOYSA-N
• XLogP: 19.44
• TPSA: 377.43 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 9
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2116.72
LogP ≤ 5	19.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'cycloheptane_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;6,6-dimethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;methyl 2-methylprop-2-enoate;hexakis(methyl prop-2-enoate);5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;spiro[4,10-dioxatricyclo[5.2.1.02,6]decane-5,1'-cyclohexane]-3-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclohexane]-4-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclopentane]-4-one?

The IUPAC name of 6,6-diethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;6,6-dimethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;methyl 2-methylprop-2-enoate;hexakis(methyl prop-2-enoate);5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;spiro[4,10-dioxatricyclo[5.2.1.02,6]decane-5,1'-cyclohexane]-3-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclohexane]-4-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclopentane]-4-one (CID 158152164) is 6,6-diethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;6,6-dimethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;methyl 2-methylprop-2-enoate;hexakis(methyl prop-2-enoate);5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;spiro[4,10-dioxatricyclo[5.2.1.02,6]decane-5,1'-cyclohexane]-3-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclohexane]-4-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclopentane]-4-one.

What is the SMILES notation for 6,6-diethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;6,6-dimethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;methyl 2-methylprop-2-enoate;hexakis(methyl prop-2-enoate);5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;spiro[4,10-dioxatricyclo[5.2.1.02,6]decane-5,1'-cyclohexane]-3-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclohexane]-4-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclopentane]-4-one?

The canonical SMILES for 6,6-diethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;6,6-dimethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;methyl 2-methylprop-2-enoate;hexakis(methyl prop-2-enoate);5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;spiro[4,10-dioxatricyclo[5.2.1.02,6]decane-5,1'-cyclohexane]-3-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclohexane]-4-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclopentane]-4-one is C=C(C)C(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.CC1(C)OC(=O)C2C3C4CCC(C4)C3C21.CC1(C)OC(=O)C2C3CCC(C3)C21.CCC1(CC)OC(=O)C2C3C4CCC(C4)C3C21.O=C1OC2(CCCC2)C2C1C1C3CCC(C3)C12.O=C1OC2(CCCCC2)C2C1C1C3CCC(C3)C12.O=C1OC2(CCCCC2)C2C3CCC(O3)C12.O=C1OCC2C1C1C3CCC(C3)C21.

What is the InChIKey of 6,6-diethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;6,6-dimethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;methyl 2-methylprop-2-enoate;hexakis(methyl prop-2-enoate);5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;spiro[4,10-dioxatricyclo[5.2.1.02,6]decane-5,1'-cyclohexane]-3-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclohexane]-4-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclopentane]-4-one?

The InChIKey is FVFYWBDPBYYAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2.C15H20O2.C15H22O2.C13H18O3.C13H18O2.C11H14O2.C11H16O2.C5H8O2.6C4H6O2/c17-15-13-11-9-4-5-10(8-9)12(11)14(13)16(18-15)6-2-1-3-7-16;16-14-12-10-8-3-4-9(7-8)11(10)13(12)15(17-14)5-1-2-6-15;1-3-15(4-2)13-11-9-6-5-8(7-9)10(11)12(13)14(16)17-15;14-12-10-8-4-5-9(15-8)11(10)13(16-12)6-2-1-3-7-13;1-13(2)11-9-7-4-3-6(5-7)8(9)10(11)12(14)15-13;12-11-10-7(4-13-11)8-5-1-2-6(3-5)9(8)10;1-11(2)9-7-4-3-6(5-7)8(9)10(12)13-11;1-4(2)5(6)7-3;6*1-3-4(5)6-2/h9-14H,1-8H2;8-13H,1-7H2;8-13H,3-7H2,1-2H3;8-11H,1-7H2;6-11H,3-5H2,1-2H3;5-10H,1-4H2;6-9H,3-5H2,1-2H3;1H2,2-3H3;6*3H,1H2,2H3.

What are the key properties of 6,6-diethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;6,6-dimethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;methyl 2-methylprop-2-enoate;hexakis(methyl prop-2-enoate);5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;spiro[4,10-dioxatricyclo[5.2.1.02,6]decane-5,1'-cyclohexane]-3-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclohexane]-4-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclopentane]-4-one?

6,6-diethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;6,6-dimethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;methyl 2-methylprop-2-enoate;hexakis(methyl prop-2-enoate);5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;spiro[4,10-dioxatricyclo[5.2.1.02,6]decane-5,1'-cyclohexane]-3-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclohexane]-4-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclopentane]-4-one has a molecular weight of 2116.72 g/mol, XLogP of 19.44, 9 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6,6-diethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;6,6-dimethyl-5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;5,5-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;methyl 2-methylprop-2-enoate;hexakis(methyl prop-2-enoate);5-oxatetracyclo[7.2.1.02,8.03,7]dodecan-4-one;spiro[4,10-dioxatricyclo[5.2.1.02,6]decane-5,1'-cyclohexane]-3-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclohexane]-4-one;spiro[5-oxatetracyclo[7.2.1.02,8.03,7]dodecane-6,1'-cyclopentane]-4-one is sourced from PubChem (CID 158152164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).