6-methoxycarbonyl-2,2,4,6,8-pentamethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-8-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]decanoic acid

C33H56O8 — CID 22966806

About 6-methoxycarbonyl-2,2,4,6,8-pentamethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-8-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]decanoic acid

6-methoxycarbonyl-2,2,4,6,8-pentamethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-8-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]decanoic acid (PubChem CID 22966806) has the molecular formula C33H56O8 and a molecular weight of 580.80 g/mol. Its IUPAC name is 6-methoxycarbonyl-2,2,4,6,8-pentamethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-8-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]decanoic acid.

Molecular Properties

• Compound Name: 6-methoxycarbonyl-2,2,4,6,8-pentamethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-8-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]decanoic acid
• PubChem CID: 22966806
• Molecular Formula: C33H56O8
• Molecular Weight: 580.80 g/mol
• Exact Mass: 580.40
• IUPAC Name: 6-methoxycarbonyl-2,2,4,6,8-pentamethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-8-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]decanoic acid
• SMILES: CCC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)O)C(=O)OC(C)(C)C)C(=O)OC)C(=O)OC1CC2CCC1(C)C2(C)C
• InChI: InChI=1S/C33H56O8/c1-14-30(9,25(37)40-22-17-21-15-16-33(22,12)29(21,7)8)19-32(11,24(36)39-13)20-31(10,18-28(5,6)23(34)35)26(38)41-27(2,3)4/h21-22H,14-20H2,1-13H3,(H,34,35)
• InChIKey: DRWBIINOQQERGC-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 116.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.80
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-methoxycarbonyl-2,2,4,6,8-pentamethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-8-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]decanoic acid?

The IUPAC name of 6-methoxycarbonyl-2,2,4,6,8-pentamethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-8-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]decanoic acid (CID 22966806) is 6-methoxycarbonyl-2,2,4,6,8-pentamethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-8-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]decanoic acid.

What is the SMILES notation for 6-methoxycarbonyl-2,2,4,6,8-pentamethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-8-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]decanoic acid?

The canonical SMILES for 6-methoxycarbonyl-2,2,4,6,8-pentamethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-8-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]decanoic acid is CCC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)O)C(=O)OC(C)(C)C)C(=O)OC)C(=O)OC1CC2CCC1(C)C2(C)C.

What is the InChIKey of 6-methoxycarbonyl-2,2,4,6,8-pentamethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-8-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]decanoic acid?

The InChIKey is DRWBIINOQQERGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56O8/c1-14-30(9,25(37)40-22-17-21-15-16-33(22,12)29(21,7)8)19-32(11,24(36)39-13)20-31(10,18-28(5,6)23(34)35)26(38)41-27(2,3)4/h21-22H,14-20H2,1-13H3,(H,34,35).

What are the key properties of 6-methoxycarbonyl-2,2,4,6,8-pentamethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-8-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]decanoic acid?

6-methoxycarbonyl-2,2,4,6,8-pentamethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-8-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]decanoic acid has a molecular weight of 580.80 g/mol, XLogP of 6.97, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxycarbonyl-2,2,4,6,8-pentamethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-8-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]decanoic acid is sourced from PubChem (CID 22966806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).