8,9-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-ethoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;5-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;6-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one

C76H110O16 — CID 158794699

About 8,9-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-ethoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;5-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;6-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one

8,9-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-ethoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;5-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;6-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one (PubChem CID 158794699) has the molecular formula C76H110O16 and a molecular weight of 1279.70 g/mol. Its IUPAC name is 8,9-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-ethoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;5-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;6-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one.

Molecular Properties

• Compound Name: 8,9-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-ethoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;5-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;6-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one
• PubChem CID: 158794699
• Molecular Formula: C76H110O16
• Molecular Weight: 1279.70 g/mol
• Exact Mass: 1278.78
• IUPAC Name: 8,9-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-ethoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;5-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;6-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one
• SMILES: CC1C(C)C2CC1C1COC(=O)C21.CC1CC2CC1C1(CCOC1=O)C2.CC1CC2CC1C1C(=O)OCC21.CC1CC2CC1C1COC(=O)C21.CC1CC2CC1CC21CCOC1=O.CCOC1C(C)C2CC1C1C(=O)OCC21.COC1C(C)C2CC1C1C(=O)OCC21
• InChI: InChI=1S/C12H18O3.C11H16O3.3C11H16O2.2C10H14O2/c1-3-14-11-6(2)7-4-8(11)10-9(7)5-15-12(10)13;1-5-6-3-7(10(5)13-2)9-8(6)4-14-11(9)12;1-5-6(2)8-3-7(5)9-4-13-11(12)10(8)9;1-7-4-9-5-8(7)6-11(9)2-3-13-10(11)12;1-7-4-8-5-9(7)11(6-8)2-3-13-10(11)12;1-5-2-6-3-7(5)8-4-12-10(11)9(6)8;1-5-2-6-3-7(5)9-8(6)4-12-10(9)11/h6-11H,3-5H2,1-2H3;5-10H,3-4H2,1-2H3;5-10H,3-4H2,1-2H3;2*7-9H,2-6H2,1H3;2*5-9H,2-4H2,1H3
• InChIKey: ISSKVGNURJGMPQ-UHFFFAOYSA-N
• XLogP: 11.11
• TPSA: 202.56 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 3
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1279.70
LogP ≤ 5	11.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-ethoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;5-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;6-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?

The IUPAC name of 8,9-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-ethoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;5-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;6-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one (CID 158794699) is 8,9-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-ethoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;5-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;6-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one.

What is the SMILES notation for 8,9-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-ethoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;5-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;6-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?

The canonical SMILES for 8,9-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-ethoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;5-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;6-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one is CC1C(C)C2CC1C1COC(=O)C21.CC1CC2CC1C1(CCOC1=O)C2.CC1CC2CC1C1C(=O)OCC21.CC1CC2CC1C1COC(=O)C21.CC1CC2CC1CC21CCOC1=O.CCOC1C(C)C2CC1C1C(=O)OCC21.COC1C(C)C2CC1C1C(=O)OCC21.

What is the InChIKey of 8,9-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-ethoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;5-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;6-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?

The InChIKey is ISSKVGNURJGMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3.C11H16O3.3C11H16O2.2C10H14O2/c1-3-14-11-6(2)7-4-8(11)10-9(7)5-15-12(10)13;1-5-6-3-7(10(5)13-2)9-8(6)4-14-11(9)12;1-5-6(2)8-3-7(5)9-4-13-11(12)10(8)9;1-7-4-9-5-8(7)6-11(9)2-3-13-10(11)12;1-7-4-8-5-9(7)11(6-8)2-3-13-10(11)12;1-5-2-6-3-7(5)8-4-12-10(11)9(6)8;1-5-2-6-3-7(5)9-8(6)4-12-10(9)11/h6-11H,3-5H2,1-2H3;5-10H,3-4H2,1-2H3;5-10H,3-4H2,1-2H3;2*7-9H,2-6H2,1H3;2*5-9H,2-4H2,1H3.

What are the key properties of 8,9-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-ethoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;5-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;6-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?

8,9-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-ethoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;5-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;6-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one has a molecular weight of 1279.70 g/mol, XLogP of 11.11, 3 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8,9-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-ethoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methoxy-8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;8-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;9-methyl-4-oxatricyclo[5.2.1.02,6]decan-3-one;5-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;6-methylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one is sourced from PubChem (CID 158794699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).