3-methylfuran;oxane-2,6-dione

C10H12O4 — CID 160731170

IUPAC3-methylfuran;oxane-2,6-dione
SMILESCc1ccoc1.O=C1CCCC(=O)O1
InChIInChI=1S/C5H6O3.C5H6O/c6-4-2-1-3-5(7)8-4;1-5-2-3-6-4-5/h1-3H2;2-4H,1H3
InChIKeyRUIYAVHLDYZRRX-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.83
Rot. Bonds

About 3-methylfuran;oxane-2,6-dione

3-methylfuran;oxane-2,6-dione (PubChem CID 160731170) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-methylfuran;oxane-2,6-dione.

Molecular Properties

Compound Name3-methylfuran;oxane-2,6-dione
PubChem CID160731170
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name3-methylfuran;oxane-2,6-dione
SMILESCc1ccoc1.O=C1CCCC(=O)O1
InChIInChI=1S/C5H6O3.C5H6O/c6-4-2-1-3-5(7)8-4;1-5-2-3-6-4-5/h1-3H2;2-4H,1H3
InChIKeyRUIYAVHLDYZRRX-UHFFFAOYSA-N
XLogP1.83
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-ethyl 3-(furan-3-yl)acrylate
CID 10103508
Furan-3-ylmethyl butanoate
CID 139696747
Methyl 3-(furan-3-yl)prop-2-ynoate
CID 45079420
Furan-3-ylmethyl pentanoate
CID 171935626
Furan-3-ylmethyl 4-methyl pentanoate
CID 171935629
Furan-3-ylmethyl hexanoate
CID 171935630
2-Methoxy-3-methylfuran
CID 23058060
Propyl 3-(furan-3-yl)prop-2-enoate
CID 97884
(E)-Methyl 3-(3-Furanyl)propenoate
CID 10441877
[(E)-3-(furan-3-yl)prop-2-enyl] acetate
CID 14227246
[Diacetyloxy(furan-3-yl)plumbyl] acetate
CID 16687584
[Diacetyloxy(furan-2-yl)plumbyl] acetate
CID 16703248

Frequently Asked Questions

What is the IUPAC name of 3-methylfuran;oxane-2,6-dione?
The IUPAC name of 3-methylfuran;oxane-2,6-dione (CID 160731170) is 3-methylfuran;oxane-2,6-dione.
What is the SMILES notation for 3-methylfuran;oxane-2,6-dione?
The canonical SMILES for 3-methylfuran;oxane-2,6-dione is Cc1ccoc1.O=C1CCCC(=O)O1.
What is the InChIKey of 3-methylfuran;oxane-2,6-dione?
The InChIKey is RUIYAVHLDYZRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3.C5H6O/c6-4-2-1-3-5(7)8-4;1-5-2-3-6-4-5/h1-3H2;2-4H,1H3.
What are the key properties of 3-methylfuran;oxane-2,6-dione?
3-methylfuran;oxane-2,6-dione has a molecular weight of 196.20 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylfuran;oxane-2,6-dione is sourced from PubChem (CID 160731170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).