4-ethyl-3-(hydroxymethyl)-2H-furan-5-one

C7H10O3 — CID 11286523

IUPAC4-ethyl-3-(hydroxymethyl)-2H-furan-5-one
SMILESCCC1=C(CO)COC1=O
InChIInChI=1S/C7H10O3/c1-2-6-5(3-8)4-10-7(6)9/h8H,2-4H2,1H3
InChIKeyIOHGNCOSSXECQO-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds2

About 4-ethyl-3-(hydroxymethyl)-2H-furan-5-one

4-ethyl-3-(hydroxymethyl)-2H-furan-5-one (PubChem CID 11286523) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-ethyl-3-(hydroxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-ethyl-3-(hydroxymethyl)-2H-furan-5-one
PubChem CID11286523
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-ethyl-3-(hydroxymethyl)-2H-furan-5-one
SMILESCCC1=C(CO)COC1=O
InChIInChI=1S/C7H10O3/c1-2-6-5(3-8)4-10-7(6)9/h8H,2-4H2,1H3
InChIKeyIOHGNCOSSXECQO-UHFFFAOYSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(hydroxymethyl)-2H-furan-5-one?
The IUPAC name of 4-ethyl-3-(hydroxymethyl)-2H-furan-5-one (CID 11286523) is 4-ethyl-3-(hydroxymethyl)-2H-furan-5-one.
What is the SMILES notation for 4-ethyl-3-(hydroxymethyl)-2H-furan-5-one?
The canonical SMILES for 4-ethyl-3-(hydroxymethyl)-2H-furan-5-one is CCC1=C(CO)COC1=O.
What is the InChIKey of 4-ethyl-3-(hydroxymethyl)-2H-furan-5-one?
The InChIKey is IOHGNCOSSXECQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-6-5(3-8)4-10-7(6)9/h8H,2-4H2,1H3.
What are the key properties of 4-ethyl-3-(hydroxymethyl)-2H-furan-5-one?
4-ethyl-3-(hydroxymethyl)-2H-furan-5-one has a molecular weight of 142.15 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(hydroxymethyl)-2H-furan-5-one is sourced from PubChem (CID 11286523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).