ethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione

C12H14O5 — CID 153362051

IUPACethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione
SMILESCC.COc1c(C)c(=O)oc(=O)c2ccoc12
InChIInChI=1S/C10H8O5.C2H6/c1-5-7(13-2)8-6(3-4-14-8)10(12)15-9(5)11;1-2/h3-4H,1-2H3;1-2H3
InChIKeyIEMZVMDRKGABHL-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.09
Rot. Bonds1

About ethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione

ethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione (PubChem CID 153362051) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione.

Molecular Properties

Compound Nameethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione
PubChem CID153362051
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Nameethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione
SMILESCC.COc1c(C)c(=O)oc(=O)c2ccoc12
InChIInChI=1S/C10H8O5.C2H6/c1-5-7(13-2)8-6(3-4-14-8)10(12)15-9(5)11;1-2/h3-4H,1-2H3;1-2H3
InChIKeyIEMZVMDRKGABHL-UHFFFAOYSA-N
XLogP2.09
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione?
The IUPAC name of ethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione (CID 153362051) is ethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione.
What is the SMILES notation for ethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione?
The canonical SMILES for ethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione is CC.COc1c(C)c(=O)oc(=O)c2ccoc12.
What is the InChIKey of ethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione?
The InChIKey is IEMZVMDRKGABHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5.C2H6/c1-5-7(13-2)8-6(3-4-14-8)10(12)15-9(5)11;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of ethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione?
ethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione has a molecular weight of 238.24 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione is sourced from PubChem (CID 153362051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).