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

C7H10O3 — CID 54716621

IUPAC4-hydroxy-3,5,5-trimethylfuran-2-one
SMILESCC1=C(O)C(C)(C)OC1=O
InChIInChI=1S/C7H10O3/c1-4-5(8)7(2,3)10-6(4)9/h8H,1-3H3
InChIKeyDEPWBAKRPOMFCY-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.15
Rot. Bonds

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

4-hydroxy-3,5,5-trimethylfuran-2-one (PubChem CID 54716621) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-hydroxy-3,5,5-trimethylfuran-2-one.

Molecular Properties

Compound Name4-hydroxy-3,5,5-trimethylfuran-2-one
PubChem CID54716621
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-hydroxy-3,5,5-trimethylfuran-2-one
SMILESCC1=C(O)C(C)(C)OC1=O
InChIInChI=1S/C7H10O3/c1-4-5(8)7(2,3)10-6(4)9/h8H,1-3H3
InChIKeyDEPWBAKRPOMFCY-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 4-hydroxy-3,5,5-trimethylfuran-2-one?
The IUPAC name of 4-hydroxy-3,5,5-trimethylfuran-2-one (CID 54716621) is 4-hydroxy-3,5,5-trimethylfuran-2-one.
What is the SMILES notation for 4-hydroxy-3,5,5-trimethylfuran-2-one?
The canonical SMILES for 4-hydroxy-3,5,5-trimethylfuran-2-one is CC1=C(O)C(C)(C)OC1=O.
What is the InChIKey of 4-hydroxy-3,5,5-trimethylfuran-2-one?
The InChIKey is DEPWBAKRPOMFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-5(8)7(2,3)10-6(4)9/h8H,1-3H3.
What are the key properties of 4-hydroxy-3,5,5-trimethylfuran-2-one?
4-hydroxy-3,5,5-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 4-hydroxy-3,5,5-trimethylfuran-2-one is sourced from PubChem (CID 54716621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).