3-hydroxy-4,5,5-trimethylfuran-2-one

C7H10O3 — CID 18721149

IUPAC3-hydroxy-4,5,5-trimethylfuran-2-one
SMILESCC1=C(O)C(=O)OC1(C)C
InChIInChI=1S/C7H10O3/c1-4-5(8)6(9)10-7(4,2)3/h8H,1-3H3
InChIKeySMUKAEQFRFUBCE-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.15
Rot. Bonds

About 3-hydroxy-4,5,5-trimethylfuran-2-one

3-hydroxy-4,5,5-trimethylfuran-2-one (PubChem CID 18721149) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3-hydroxy-4,5,5-trimethylfuran-2-one.

Molecular Properties

Compound Name3-hydroxy-4,5,5-trimethylfuran-2-one
PubChem CID18721149
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3-hydroxy-4,5,5-trimethylfuran-2-one
SMILESCC1=C(O)C(=O)OC1(C)C
InChIInChI=1S/C7H10O3/c1-4-5(8)6(9)10-7(4,2)3/h8H,1-3H3
InChIKeySMUKAEQFRFUBCE-UHFFFAOYSA-N
XLogP1.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,5,5-trimethylfuran-2-one?
The IUPAC name of 3-hydroxy-4,5,5-trimethylfuran-2-one (CID 18721149) is 3-hydroxy-4,5,5-trimethylfuran-2-one.
What is the SMILES notation for 3-hydroxy-4,5,5-trimethylfuran-2-one?
The canonical SMILES for 3-hydroxy-4,5,5-trimethylfuran-2-one is CC1=C(O)C(=O)OC1(C)C.
What is the InChIKey of 3-hydroxy-4,5,5-trimethylfuran-2-one?
The InChIKey is SMUKAEQFRFUBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-5(8)6(9)10-7(4,2)3/h8H,1-3H3.
What are the key properties of 3-hydroxy-4,5,5-trimethylfuran-2-one?
3-hydroxy-4,5,5-trimethylfuran-2-one has a molecular weight of 142.15 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,5,5-trimethylfuran-2-one is sourced from PubChem (CID 18721149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).