[2-hydroxy-8,8-dimethyl-9-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxy-1,2,9,10-tetrahydropyrano[2,3-h]quinolin-10-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate

C34H41NO10 — CID 10121898

About [2-hydroxy-8,8-dimethyl-9-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxy-1,2,9,10-tetrahydropyrano[2,3-h]quinolin-10-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate

[2-hydroxy-8,8-dimethyl-9-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxy-1,2,9,10-tetrahydropyrano[2,3-h]quinolin-10-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate (PubChem CID 10121898) has the molecular formula C34H41NO10 and a molecular weight of 623.70 g/mol. Its IUPAC name is [2-hydroxy-8,8-dimethyl-9-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxy-1,2,9,10-tetrahydropyrano[2,3-h]quinolin-10-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate.

Molecular Properties

• Compound Name: [2-hydroxy-8,8-dimethyl-9-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxy-1,2,9,10-tetrahydropyrano[2,3-h]quinolin-10-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
• PubChem CID: 10121898
• Molecular Formula: C34H41NO10
• Molecular Weight: 623.70 g/mol
• Exact Mass: 623.27
• IUPAC Name: [2-hydroxy-8,8-dimethyl-9-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxy-1,2,9,10-tetrahydropyrano[2,3-h]quinolin-10-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
• SMILES: CC1(C)Oc2ccc3c(c2C(OC(=O)C24CCC(C)(C(=O)O2)C4(C)C)C1OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)NC(O)C=C3
• InChI: InChI=1S/C34H41NO10/c1-28(2)23(42-27(40)34-16-14-32(8,25(38)45-34)30(34,5)6)22(20-18(43-28)11-9-17-10-12-19(36)35-21(17)20)41-26(39)33-15-13-31(7,24(37)44-33)29(33,3)4/h9-12,19,22-23,35-36H,13-16H2,1-8H3
• InChIKey: VNJCGLQCAAQYJU-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 146.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.70
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-8,8-dimethyl-9-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxy-1,2,9,10-tetrahydropyrano[2,3-h]quinolin-10-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?

The IUPAC name of [2-hydroxy-8,8-dimethyl-9-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxy-1,2,9,10-tetrahydropyrano[2,3-h]quinolin-10-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate (CID 10121898) is [2-hydroxy-8,8-dimethyl-9-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxy-1,2,9,10-tetrahydropyrano[2,3-h]quinolin-10-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate.

What is the SMILES notation for [2-hydroxy-8,8-dimethyl-9-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxy-1,2,9,10-tetrahydropyrano[2,3-h]quinolin-10-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?

The canonical SMILES for [2-hydroxy-8,8-dimethyl-9-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxy-1,2,9,10-tetrahydropyrano[2,3-h]quinolin-10-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate is CC1(C)Oc2ccc3c(c2C(OC(=O)C24CCC(C)(C(=O)O2)C4(C)C)C1OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)NC(O)C=C3.

What is the InChIKey of [2-hydroxy-8,8-dimethyl-9-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxy-1,2,9,10-tetrahydropyrano[2,3-h]quinolin-10-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?

The InChIKey is VNJCGLQCAAQYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41NO10/c1-28(2)23(42-27(40)34-16-14-32(8,25(38)45-34)30(34,5)6)22(20-18(43-28)11-9-17-10-12-19(36)35-21(17)20)41-26(39)33-15-13-31(7,24(37)44-33)29(33,3)4/h9-12,19,22-23,35-36H,13-16H2,1-8H3.

What are the key properties of [2-hydroxy-8,8-dimethyl-9-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxy-1,2,9,10-tetrahydropyrano[2,3-h]quinolin-10-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate?

[2-hydroxy-8,8-dimethyl-9-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxy-1,2,9,10-tetrahydropyrano[2,3-h]quinolin-10-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate has a molecular weight of 623.70 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [2-hydroxy-8,8-dimethyl-9-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxy-1,2,9,10-tetrahydropyrano[2,3-h]quinolin-10-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate is sourced from PubChem (CID 10121898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).