5-hydroxy-4-methoxy-5-(1-methoxypropan-2-yl)furan-2-one

C9H14O5 — CID 11206454

IUPAC5-hydroxy-4-methoxy-5-(1-methoxypropan-2-yl)furan-2-one
SMILESCOCC(C)C1(O)OC(=O)C=C1OC
InChIInChI=1S/C9H14O5/c1-6(5-12-2)9(11)7(13-3)4-8(10)14-9/h4,6,11H,5H2,1-3H3
InChIKeyXAVWWBQJIQTIEU-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.04
Rot. Bonds4

About 5-hydroxy-4-methoxy-5-(1-methoxypropan-2-yl)furan-2-one

5-hydroxy-4-methoxy-5-(1-methoxypropan-2-yl)furan-2-one (PubChem CID 11206454) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-hydroxy-4-methoxy-5-(1-methoxypropan-2-yl)furan-2-one.

Molecular Properties

Compound Name5-hydroxy-4-methoxy-5-(1-methoxypropan-2-yl)furan-2-one
PubChem CID11206454
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name5-hydroxy-4-methoxy-5-(1-methoxypropan-2-yl)furan-2-one
SMILESCOCC(C)C1(O)OC(=O)C=C1OC
InChIInChI=1S/C9H14O5/c1-6(5-12-2)9(11)7(13-3)4-8(10)14-9/h4,6,11H,5H2,1-3H3
InChIKeyXAVWWBQJIQTIEU-UHFFFAOYSA-N
XLogP0.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methoxy-5-(1-methoxypropan-2-yl)furan-2-one?
The IUPAC name of 5-hydroxy-4-methoxy-5-(1-methoxypropan-2-yl)furan-2-one (CID 11206454) is 5-hydroxy-4-methoxy-5-(1-methoxypropan-2-yl)furan-2-one.
What is the SMILES notation for 5-hydroxy-4-methoxy-5-(1-methoxypropan-2-yl)furan-2-one?
The canonical SMILES for 5-hydroxy-4-methoxy-5-(1-methoxypropan-2-yl)furan-2-one is COCC(C)C1(O)OC(=O)C=C1OC.
What is the InChIKey of 5-hydroxy-4-methoxy-5-(1-methoxypropan-2-yl)furan-2-one?
The InChIKey is XAVWWBQJIQTIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-6(5-12-2)9(11)7(13-3)4-8(10)14-9/h4,6,11H,5H2,1-3H3.
What are the key properties of 5-hydroxy-4-methoxy-5-(1-methoxypropan-2-yl)furan-2-one?
5-hydroxy-4-methoxy-5-(1-methoxypropan-2-yl)furan-2-one has a molecular weight of 202.21 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methoxy-5-(1-methoxypropan-2-yl)furan-2-one is sourced from PubChem (CID 11206454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).