2,4,5-trihydroxy-2-(2-hydroxyethyl)cyclopentane-1,3-dione

C7H10O6 — CID 23071286

IUPAC2,4,5-trihydroxy-2-(2-hydroxyethyl)cyclopentane-1,3-dione
SMILESO=C1C(O)C(O)C(=O)C1(O)CCO
InChIInChI=1S/C7H10O6/c8-2-1-7(13)5(11)3(9)4(10)6(7)12/h3-4,8-10,13H,1-2H2
InChIKeyMPTHEFSOETVEOU-UHFFFAOYSA-N
MW190.15 g/mol
LogP-3.03
Rot. Bonds2

About 2,4,5-trihydroxy-2-(2-hydroxyethyl)cyclopentane-1,3-dione

2,4,5-trihydroxy-2-(2-hydroxyethyl)cyclopentane-1,3-dione (PubChem CID 23071286) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2,4,5-trihydroxy-2-(2-hydroxyethyl)cyclopentane-1,3-dione.

Molecular Properties

Compound Name2,4,5-trihydroxy-2-(2-hydroxyethyl)cyclopentane-1,3-dione
PubChem CID23071286
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name2,4,5-trihydroxy-2-(2-hydroxyethyl)cyclopentane-1,3-dione
SMILESO=C1C(O)C(O)C(=O)C1(O)CCO
InChIInChI=1S/C7H10O6/c8-2-1-7(13)5(11)3(9)4(10)6(7)12/h3-4,8-10,13H,1-2H2
InChIKeyMPTHEFSOETVEOU-UHFFFAOYSA-N
XLogP-3.03
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-3.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trihydroxy-2-(2-hydroxyethyl)cyclopentane-1,3-dione?
The IUPAC name of 2,4,5-trihydroxy-2-(2-hydroxyethyl)cyclopentane-1,3-dione (CID 23071286) is 2,4,5-trihydroxy-2-(2-hydroxyethyl)cyclopentane-1,3-dione.
What is the SMILES notation for 2,4,5-trihydroxy-2-(2-hydroxyethyl)cyclopentane-1,3-dione?
The canonical SMILES for 2,4,5-trihydroxy-2-(2-hydroxyethyl)cyclopentane-1,3-dione is O=C1C(O)C(O)C(=O)C1(O)CCO.
What is the InChIKey of 2,4,5-trihydroxy-2-(2-hydroxyethyl)cyclopentane-1,3-dione?
The InChIKey is MPTHEFSOETVEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O6/c8-2-1-7(13)5(11)3(9)4(10)6(7)12/h3-4,8-10,13H,1-2H2.
What are the key properties of 2,4,5-trihydroxy-2-(2-hydroxyethyl)cyclopentane-1,3-dione?
2,4,5-trihydroxy-2-(2-hydroxyethyl)cyclopentane-1,3-dione has a molecular weight of 190.15 g/mol, XLogP of -3.03, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trihydroxy-2-(2-hydroxyethyl)cyclopentane-1,3-dione is sourced from PubChem (CID 23071286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).