4-hydroxy-2,3-dimethyl-2H-furan-5-one;2-hydroxy-3-methylcyclopent-2-en-1-one

C12H16O5 — CID 139509210

IUPAC4-hydroxy-2,3-dimethyl-2H-furan-5-one;2-hydroxy-3-methylcyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)CC1.CC1=C(O)C(=O)OC1C
InChIInChI=1S/C6H8O3.C6H8O2/c1-3-4(2)9-6(8)5(3)7;1-4-2-3-5(7)6(4)8/h4,7H,1-2H3;8H,2-3H2,1H3
InChIKeyVHPFGHNUZDMSSQ-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.95
Rot. Bonds

About 4-hydroxy-2,3-dimethyl-2H-furan-5-one;2-hydroxy-3-methylcyclopent-2-en-1-one

4-hydroxy-2,3-dimethyl-2H-furan-5-one;2-hydroxy-3-methylcyclopent-2-en-1-one (PubChem CID 139509210) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 4-hydroxy-2,3-dimethyl-2H-furan-5-one;2-hydroxy-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2,3-dimethyl-2H-furan-5-one;2-hydroxy-3-methylcyclopent-2-en-1-one
PubChem CID139509210
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name4-hydroxy-2,3-dimethyl-2H-furan-5-one;2-hydroxy-3-methylcyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)CC1.CC1=C(O)C(=O)OC1C
InChIInChI=1S/C6H8O3.C6H8O2/c1-3-4(2)9-6(8)5(3)7;1-4-2-3-5(7)6(4)8/h4,7H,1-2H3;8H,2-3H2,1H3
InChIKeyVHPFGHNUZDMSSQ-UHFFFAOYSA-N
XLogP1.95
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3-dimethyl-2H-furan-5-one;2-hydroxy-3-methylcyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-2,3-dimethyl-2H-furan-5-one;2-hydroxy-3-methylcyclopent-2-en-1-one (CID 139509210) is 4-hydroxy-2,3-dimethyl-2H-furan-5-one;2-hydroxy-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2,3-dimethyl-2H-furan-5-one;2-hydroxy-3-methylcyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-2,3-dimethyl-2H-furan-5-one;2-hydroxy-3-methylcyclopent-2-en-1-one is CC1=C(O)C(=O)CC1.CC1=C(O)C(=O)OC1C.
What is the InChIKey of 4-hydroxy-2,3-dimethyl-2H-furan-5-one;2-hydroxy-3-methylcyclopent-2-en-1-one?
The InChIKey is VHPFGHNUZDMSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3.C6H8O2/c1-3-4(2)9-6(8)5(3)7;1-4-2-3-5(7)6(4)8/h4,7H,1-2H3;8H,2-3H2,1H3.
What are the key properties of 4-hydroxy-2,3-dimethyl-2H-furan-5-one;2-hydroxy-3-methylcyclopent-2-en-1-one?
4-hydroxy-2,3-dimethyl-2H-furan-5-one;2-hydroxy-3-methylcyclopent-2-en-1-one has a molecular weight of 240.25 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3-dimethyl-2H-furan-5-one;2-hydroxy-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 139509210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).