5-(hydroxymethyl)-3,4-dimethoxy-5-methylfuran-2-one

C8H12O5 — CID 14105178

IUPAC5-(hydroxymethyl)-3,4-dimethoxy-5-methylfuran-2-one
SMILESCOC1=C(OC)C(C)(CO)OC1=O
InChIInChI=1S/C8H12O5/c1-8(4-9)6(12-3)5(11-2)7(10)13-8/h9H,4H2,1-3H3
InChIKeyRMINJWGSZVOQBW-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.20
Rot. Bonds3

About 5-(hydroxymethyl)-3,4-dimethoxy-5-methylfuran-2-one

5-(hydroxymethyl)-3,4-dimethoxy-5-methylfuran-2-one (PubChem CID 14105178) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3,4-dimethoxy-5-methylfuran-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3,4-dimethoxy-5-methylfuran-2-one
PubChem CID14105178
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name5-(hydroxymethyl)-3,4-dimethoxy-5-methylfuran-2-one
SMILESCOC1=C(OC)C(C)(CO)OC1=O
InChIInChI=1S/C8H12O5/c1-8(4-9)6(12-3)5(11-2)7(10)13-8/h9H,4H2,1-3H3
InChIKeyRMINJWGSZVOQBW-UHFFFAOYSA-N
XLogP-0.20
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3,4-dimethoxy-5-methylfuran-2-one?
The IUPAC name of 5-(hydroxymethyl)-3,4-dimethoxy-5-methylfuran-2-one (CID 14105178) is 5-(hydroxymethyl)-3,4-dimethoxy-5-methylfuran-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3,4-dimethoxy-5-methylfuran-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3,4-dimethoxy-5-methylfuran-2-one is COC1=C(OC)C(C)(CO)OC1=O.
What is the InChIKey of 5-(hydroxymethyl)-3,4-dimethoxy-5-methylfuran-2-one?
The InChIKey is RMINJWGSZVOQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-8(4-9)6(12-3)5(11-2)7(10)13-8/h9H,4H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-3,4-dimethoxy-5-methylfuran-2-one?
5-(hydroxymethyl)-3,4-dimethoxy-5-methylfuran-2-one has a molecular weight of 188.18 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3,4-dimethoxy-5-methylfuran-2-one is sourced from PubChem (CID 14105178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).