3-acetyl-4-(methoxymethyl)-2H-furan-5-one

C8H10O4 — CID 170989614

IUPAC3-acetyl-4-(methoxymethyl)-2H-furan-5-one
SMILESCOCC1=C(C(C)=O)COC1=O
InChIInChI=1S/C8H10O4/c1-5(9)6-4-12-8(10)7(6)3-11-2/h3-4H2,1-2H3
InChIKeyUZQHCJJDRDTCGW-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.08
Rot. Bonds3

About 3-acetyl-4-(methoxymethyl)-2H-furan-5-one

3-acetyl-4-(methoxymethyl)-2H-furan-5-one (PubChem CID 170989614) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 3-acetyl-4-(methoxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-acetyl-4-(methoxymethyl)-2H-furan-5-one
PubChem CID170989614
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name3-acetyl-4-(methoxymethyl)-2H-furan-5-one
SMILESCOCC1=C(C(C)=O)COC1=O
InChIInChI=1S/C8H10O4/c1-5(9)6-4-12-8(10)7(6)3-11-2/h3-4H2,1-2H3
InChIKeyUZQHCJJDRDTCGW-UHFFFAOYSA-N
XLogP0.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-(methoxymethyl)-2H-furan-5-one?
The IUPAC name of 3-acetyl-4-(methoxymethyl)-2H-furan-5-one (CID 170989614) is 3-acetyl-4-(methoxymethyl)-2H-furan-5-one.
What is the SMILES notation for 3-acetyl-4-(methoxymethyl)-2H-furan-5-one?
The canonical SMILES for 3-acetyl-4-(methoxymethyl)-2H-furan-5-one is COCC1=C(C(C)=O)COC1=O.
What is the InChIKey of 3-acetyl-4-(methoxymethyl)-2H-furan-5-one?
The InChIKey is UZQHCJJDRDTCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-5(9)6-4-12-8(10)7(6)3-11-2/h3-4H2,1-2H3.
What are the key properties of 3-acetyl-4-(methoxymethyl)-2H-furan-5-one?
3-acetyl-4-(methoxymethyl)-2H-furan-5-one has a molecular weight of 170.16 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-(methoxymethyl)-2H-furan-5-one is sourced from PubChem (CID 170989614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).