2-ethyl-6-[(E)-prop-1-enyl]furo[3,2-c]pyran-3,4-dione

C12H12O4 — CID 101417380

IUPAC2-ethyl-6-[(E)-prop-1-enyl]furo[3,2-c]pyran-3,4-dione
SMILESC/C=C/c1cc2c(c(=O)o1)C(=O)C(CC)O2
InChIInChI=1S/C12H12O4/c1-3-5-7-6-9-10(12(14)15-7)11(13)8(4-2)16-9/h3,5-6,8H,4H2,1-2H3/b5-3+
InChIKeyKDOLXLYJRKWVST-HWKANZROSA-N
MW220.22 g/mol
LogP2.03
Rot. Bonds2

About 2-ethyl-6-[(E)-prop-1-enyl]furo[3,2-c]pyran-3,4-dione

2-ethyl-6-[(E)-prop-1-enyl]furo[3,2-c]pyran-3,4-dione (PubChem CID 101417380) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-ethyl-6-[(E)-prop-1-enyl]furo[3,2-c]pyran-3,4-dione.

Molecular Properties

Compound Name2-ethyl-6-[(E)-prop-1-enyl]furo[3,2-c]pyran-3,4-dione
PubChem CID101417380
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name2-ethyl-6-[(E)-prop-1-enyl]furo[3,2-c]pyran-3,4-dione
SMILESC/C=C/c1cc2c(c(=O)o1)C(=O)C(CC)O2
InChIInChI=1S/C12H12O4/c1-3-5-7-6-9-10(12(14)15-7)11(13)8(4-2)16-9/h3,5-6,8H,4H2,1-2H3/b5-3+
InChIKeyKDOLXLYJRKWVST-HWKANZROSA-N
XLogP2.03
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(E)-prop-1-enyl]furo[3,2-c]pyran-3,4-dione?
The IUPAC name of 2-ethyl-6-[(E)-prop-1-enyl]furo[3,2-c]pyran-3,4-dione (CID 101417380) is 2-ethyl-6-[(E)-prop-1-enyl]furo[3,2-c]pyran-3,4-dione.
What is the SMILES notation for 2-ethyl-6-[(E)-prop-1-enyl]furo[3,2-c]pyran-3,4-dione?
The canonical SMILES for 2-ethyl-6-[(E)-prop-1-enyl]furo[3,2-c]pyran-3,4-dione is C/C=C/c1cc2c(c(=O)o1)C(=O)C(CC)O2.
What is the InChIKey of 2-ethyl-6-[(E)-prop-1-enyl]furo[3,2-c]pyran-3,4-dione?
The InChIKey is KDOLXLYJRKWVST-HWKANZROSA-N. The full InChI is InChI=1S/C12H12O4/c1-3-5-7-6-9-10(12(14)15-7)11(13)8(4-2)16-9/h3,5-6,8H,4H2,1-2H3/b5-3+.
What are the key properties of 2-ethyl-6-[(E)-prop-1-enyl]furo[3,2-c]pyran-3,4-dione?
2-ethyl-6-[(E)-prop-1-enyl]furo[3,2-c]pyran-3,4-dione has a molecular weight of 220.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(E)-prop-1-enyl]furo[3,2-c]pyran-3,4-dione is sourced from PubChem (CID 101417380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).