ethyl (1'R,8R)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl (1'S,8S)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl 3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;methane;molecular hydrogen

C40H48O9 — CID 159463110

About ethyl (1'R,8R)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl (1'S,8S)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl 3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;methane;molecular hydrogen

ethyl (1'R,8R)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl (1'S,8S)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl 3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;methane;molecular hydrogen (PubChem CID 159463110) has the molecular formula C40H48O9 and a molecular weight of 672.82 g/mol. Its IUPAC name is ethyl (1'R,8R)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl (1'S,8S)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl 3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;methane;molecular hydrogen.

Molecular Properties

• Compound Name: ethyl (1'R,8R)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl (1'S,8S)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl 3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;methane;molecular hydrogen
• PubChem CID: 159463110
• Molecular Formula: C40H48O9
• Molecular Weight: 672.82 g/mol
• Exact Mass: 672.33
• IUPAC Name: ethyl (1'R,8R)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl (1'S,8S)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl 3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;methane;molecular hydrogen
• SMILES: C.CCOC(=O)C1CC12Cc1ccc(O)cc12.CCOC(=O)[C@@H]1C[C@@]12Cc1ccc(O)cc12.CCOC(=O)[C@H]1C[C@]12Cc1ccc(O)cc12.[H][H]
• InChI: InChI=1S/3C13H14O3.CH4.H2/c3*1-2-16-12(15)11-7-13(11)6-8-3-4-9(14)5-10(8)13;;/h3*3-5,11,14H,2,6-7H2,1H3;1H4;1H/t2*11-,13+;;;/m10.../s1
• InChIKey: LUVKPGCABFRAPO-UXYNTBNGSA-N
• XLogP: 6.19
• TPSA: 139.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.82
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl (1'R,8R)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl (1'S,8S)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl 3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;methane;molecular hydrogen?

The IUPAC name of ethyl (1'R,8R)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl (1'S,8S)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl 3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;methane;molecular hydrogen (CID 159463110) is ethyl (1'R,8R)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl (1'S,8S)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl 3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;methane;molecular hydrogen.

What is the SMILES notation for ethyl (1'R,8R)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl (1'S,8S)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl 3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;methane;molecular hydrogen?

The canonical SMILES for ethyl (1'R,8R)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl (1'S,8S)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl 3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;methane;molecular hydrogen is C.CCOC(=O)C1CC12Cc1ccc(O)cc12.CCOC(=O)[C@@H]1C[C@@]12Cc1ccc(O)cc12.CCOC(=O)[C@H]1C[C@]12Cc1ccc(O)cc12.[H][H].

What is the InChIKey of ethyl (1'R,8R)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl (1'S,8S)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl 3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;methane;molecular hydrogen?

The InChIKey is LUVKPGCABFRAPO-UXYNTBNGSA-N. The full InChI is InChI=1S/3C13H14O3.CH4.H2/c3*1-2-16-12(15)11-7-13(11)6-8-3-4-9(14)5-10(8)13;;/h3*3-5,11,14H,2,6-7H2,1H3;1H4;1H/t2*11-,13+;;;/m10.../s1.

What are the key properties of ethyl (1'R,8R)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl (1'S,8S)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl 3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;methane;molecular hydrogen?

ethyl (1'R,8R)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl (1'S,8S)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl 3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;methane;molecular hydrogen has a molecular weight of 672.82 g/mol, XLogP of 6.19, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (1'R,8R)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl (1'S,8S)-3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;ethyl 3-hydroxyspiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,2'-cyclopropane]-1'-carboxylate;methane;molecular hydrogen is sourced from PubChem (CID 159463110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).