methyl 4'-methoxy-2,5'-dioxospiro[acenaphthylene-1,2'-furan]-3'-carboxylate

C18H12O6 — CID 15470689

IUPACmethyl 4'-methoxy-2,5'-dioxospiro[acenaphthylene-1,2'-furan]-3'-carboxylate
SMILESCOC(=O)C1=C(OC)C(=O)OC12C(=O)c1cccc3cccc2c13
InChIInChI=1S/C18H12O6/c1-22-14-13(16(20)23-2)18(24-17(14)21)11-8-4-6-9-5-3-7-10(12(9)11)15(18)19/h3-8H,1-2H3
InChIKeyMZHLWBXBYWZRBU-UHFFFAOYSA-N
MW324.29 g/mol
LogP1.86
Rot. Bonds2

About methyl 4'-methoxy-2,5'-dioxospiro[acenaphthylene-1,2'-furan]-3'-carboxylate

methyl 4'-methoxy-2,5'-dioxospiro[acenaphthylene-1,2'-furan]-3'-carboxylate (PubChem CID 15470689) has the molecular formula C18H12O6 and a molecular weight of 324.29 g/mol. Its IUPAC name is methyl 4'-methoxy-2,5'-dioxospiro[acenaphthylene-1,2'-furan]-3'-carboxylate.

Molecular Properties

Compound Namemethyl 4'-methoxy-2,5'-dioxospiro[acenaphthylene-1,2'-furan]-3'-carboxylate
PubChem CID15470689
Molecular FormulaC18H12O6
Molecular Weight324.29 g/mol
Exact Mass324.06
IUPAC Namemethyl 4'-methoxy-2,5'-dioxospiro[acenaphthylene-1,2'-furan]-3'-carboxylate
SMILESCOC(=O)C1=C(OC)C(=O)OC12C(=O)c1cccc3cccc2c13
InChIInChI=1S/C18H12O6/c1-22-14-13(16(20)23-2)18(24-17(14)21)11-8-4-6-9-5-3-7-10(12(9)11)15(18)19/h3-8H,1-2H3
InChIKeyMZHLWBXBYWZRBU-UHFFFAOYSA-N
XLogP1.86
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4'-methoxy-2,5'-dioxospiro[acenaphthylene-1,2'-furan]-3'-carboxylate?
The IUPAC name of methyl 4'-methoxy-2,5'-dioxospiro[acenaphthylene-1,2'-furan]-3'-carboxylate (CID 15470689) is methyl 4'-methoxy-2,5'-dioxospiro[acenaphthylene-1,2'-furan]-3'-carboxylate.
What is the SMILES notation for methyl 4'-methoxy-2,5'-dioxospiro[acenaphthylene-1,2'-furan]-3'-carboxylate?
The canonical SMILES for methyl 4'-methoxy-2,5'-dioxospiro[acenaphthylene-1,2'-furan]-3'-carboxylate is COC(=O)C1=C(OC)C(=O)OC12C(=O)c1cccc3cccc2c13.
What is the InChIKey of methyl 4'-methoxy-2,5'-dioxospiro[acenaphthylene-1,2'-furan]-3'-carboxylate?
The InChIKey is MZHLWBXBYWZRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O6/c1-22-14-13(16(20)23-2)18(24-17(14)21)11-8-4-6-9-5-3-7-10(12(9)11)15(18)19/h3-8H,1-2H3.
What are the key properties of methyl 4'-methoxy-2,5'-dioxospiro[acenaphthylene-1,2'-furan]-3'-carboxylate?
methyl 4'-methoxy-2,5'-dioxospiro[acenaphthylene-1,2'-furan]-3'-carboxylate has a molecular weight of 324.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4'-methoxy-2,5'-dioxospiro[acenaphthylene-1,2'-furan]-3'-carboxylate is sourced from PubChem (CID 15470689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).