(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 4-[4-[[6-(2,2-dimethylpropanoyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]methyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylbutanoate

C35H52O6 — CID 20671164

About (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 4-[4-[[6-(2,2-dimethylpropanoyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]methyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylbutanoate

(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 4-[4-[[6-(2,2-dimethylpropanoyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]methyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylbutanoate (PubChem CID 20671164) has the molecular formula C35H52O6 and a molecular weight of 568.80 g/mol. Its IUPAC name is (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 4-[4-[[6-(2,2-dimethylpropanoyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]methyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 4-[4-[[6-(2,2-dimethylpropanoyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]methyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylbutanoate
• PubChem CID: 20671164
• Molecular Formula: C35H52O6
• Molecular Weight: 568.80 g/mol
• Exact Mass: 568.38
• IUPAC Name: (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 4-[4-[[6-(2,2-dimethylpropanoyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]methyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylbutanoate
• SMILES: CC1C2CC(C(=O)C(C)(C)C)C(C2)C1CC1C(=O)OC(=O)C1CCC(C)(C)C(=O)OC1(C)CC2CC1C1CCCC21
• InChI: InChI=1S/C35H52O6/c1-18-19-13-25(26(14-19)29(36)33(2,3)4)24(18)16-27-23(30(37)40-31(27)38)11-12-34(5,6)32(39)41-35(7)17-20-15-28(35)22-10-8-9-21(20)22/h18-28H,8-17H2,1-7H3
• InChIKey: RFPQVAADGWYNQC-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 86.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.80
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 4-[4-[[6-(2,2-dimethylpropanoyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]methyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylbutanoate?

The IUPAC name of (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 4-[4-[[6-(2,2-dimethylpropanoyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]methyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylbutanoate (CID 20671164) is (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 4-[4-[[6-(2,2-dimethylpropanoyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]methyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylbutanoate.

What is the SMILES notation for (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 4-[4-[[6-(2,2-dimethylpropanoyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]methyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylbutanoate?

The canonical SMILES for (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 4-[4-[[6-(2,2-dimethylpropanoyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]methyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylbutanoate is CC1C2CC(C(=O)C(C)(C)C)C(C2)C1CC1C(=O)OC(=O)C1CCC(C)(C)C(=O)OC1(C)CC2CC1C1CCCC21.

What is the InChIKey of (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 4-[4-[[6-(2,2-dimethylpropanoyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]methyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylbutanoate?

The InChIKey is RFPQVAADGWYNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52O6/c1-18-19-13-25(26(14-19)29(36)33(2,3)4)24(18)16-27-23(30(37)40-31(27)38)11-12-34(5,6)32(39)41-35(7)17-20-15-28(35)22-10-8-9-21(20)22/h18-28H,8-17H2,1-7H3.

What are the key properties of (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 4-[4-[[6-(2,2-dimethylpropanoyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]methyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylbutanoate?

(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 4-[4-[[6-(2,2-dimethylpropanoyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]methyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylbutanoate has a molecular weight of 568.80 g/mol, XLogP of 6.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 4-[4-[[6-(2,2-dimethylpropanoyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]methyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylbutanoate is sourced from PubChem (CID 20671164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).