2-hydroxyethyl 5-[6-(hydroxymethyl)-3-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-6-methylbicyclo[2.2.1]heptane-2-carboxylate

C24H34O7 — CID 18716734

About 2-hydroxyethyl 5-[6-(hydroxymethyl)-3-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-6-methylbicyclo[2.2.1]heptane-2-carboxylate

2-hydroxyethyl 5-[6-(hydroxymethyl)-3-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-6-methylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 18716734) has the molecular formula C24H34O7 and a molecular weight of 434.53 g/mol. Its IUPAC name is 2-hydroxyethyl 5-[6-(hydroxymethyl)-3-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-6-methylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

• Compound Name: 2-hydroxyethyl 5-[6-(hydroxymethyl)-3-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-6-methylbicyclo[2.2.1]heptane-2-carboxylate
• PubChem CID: 18716734
• Molecular Formula: C24H34O7
• Molecular Weight: 434.53 g/mol
• Exact Mass: 434.23
• IUPAC Name: 2-hydroxyethyl 5-[6-(hydroxymethyl)-3-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-6-methylbicyclo[2.2.1]heptane-2-carboxylate
• SMILES: CC1C(=O)OC(=O)C1C1C2CC(CO)C(C2)C1C1C2CC(C(=O)OCCO)C(C2)C1C
• InChI: InChI=1S/C24H34O7/c1-10-15-6-13(8-17(15)23(28)30-4-3-25)18(10)21-16-7-12(5-14(16)9-26)20(21)19-11(2)22(27)31-24(19)29/h10-21,25-26H,3-9H2,1-2H3
• InChIKey: LYYLDFLERAPHRA-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 110.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.53
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 5-[6-(hydroxymethyl)-3-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-6-methylbicyclo[2.2.1]heptane-2-carboxylate?

The IUPAC name of 2-hydroxyethyl 5-[6-(hydroxymethyl)-3-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-6-methylbicyclo[2.2.1]heptane-2-carboxylate (CID 18716734) is 2-hydroxyethyl 5-[6-(hydroxymethyl)-3-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-6-methylbicyclo[2.2.1]heptane-2-carboxylate.

What is the SMILES notation for 2-hydroxyethyl 5-[6-(hydroxymethyl)-3-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-6-methylbicyclo[2.2.1]heptane-2-carboxylate?

The canonical SMILES for 2-hydroxyethyl 5-[6-(hydroxymethyl)-3-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-6-methylbicyclo[2.2.1]heptane-2-carboxylate is CC1C(=O)OC(=O)C1C1C2CC(CO)C(C2)C1C1C2CC(C(=O)OCCO)C(C2)C1C.

What is the InChIKey of 2-hydroxyethyl 5-[6-(hydroxymethyl)-3-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-6-methylbicyclo[2.2.1]heptane-2-carboxylate?

The InChIKey is LYYLDFLERAPHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O7/c1-10-15-6-13(8-17(15)23(28)30-4-3-25)18(10)21-16-7-12(5-14(16)9-26)20(21)19-11(2)22(27)31-24(19)29/h10-21,25-26H,3-9H2,1-2H3.

What are the key properties of 2-hydroxyethyl 5-[6-(hydroxymethyl)-3-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-6-methylbicyclo[2.2.1]heptane-2-carboxylate?

2-hydroxyethyl 5-[6-(hydroxymethyl)-3-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-6-methylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 434.53 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxyethyl 5-[6-(hydroxymethyl)-3-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-6-methylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 18716734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).