3,4-dihydroxy-2-(hydroxymethyl)cyclopentan-1-one

C6H10O4 — CID 175199406

IUPAC3,4-dihydroxy-2-(hydroxymethyl)cyclopentan-1-one
SMILESO=C1CC(O)C(O)C1CO
InChIInChI=1S/C6H10O4/c7-2-3-4(8)1-5(9)6(3)10/h3,5-7,9-10H,1-2H2
InChIKeyFGPPPIHCDAQECN-UHFFFAOYSA-N
MW146.14 g/mol
LogP-1.71
Rot. Bonds1

About 3,4-dihydroxy-2-(hydroxymethyl)cyclopentan-1-one

3,4-dihydroxy-2-(hydroxymethyl)cyclopentan-1-one (PubChem CID 175199406) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 3,4-dihydroxy-2-(hydroxymethyl)cyclopentan-1-one.

Molecular Properties

Compound Name3,4-dihydroxy-2-(hydroxymethyl)cyclopentan-1-one
PubChem CID175199406
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name3,4-dihydroxy-2-(hydroxymethyl)cyclopentan-1-one
SMILESO=C1CC(O)C(O)C1CO
InChIInChI=1S/C6H10O4/c7-2-3-4(8)1-5(9)6(3)10/h3,5-7,9-10H,1-2H2
InChIKeyFGPPPIHCDAQECN-UHFFFAOYSA-N
XLogP-1.71
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-2-(hydroxymethyl)cyclopentan-1-one?
The IUPAC name of 3,4-dihydroxy-2-(hydroxymethyl)cyclopentan-1-one (CID 175199406) is 3,4-dihydroxy-2-(hydroxymethyl)cyclopentan-1-one.
What is the SMILES notation for 3,4-dihydroxy-2-(hydroxymethyl)cyclopentan-1-one?
The canonical SMILES for 3,4-dihydroxy-2-(hydroxymethyl)cyclopentan-1-one is O=C1CC(O)C(O)C1CO.
What is the InChIKey of 3,4-dihydroxy-2-(hydroxymethyl)cyclopentan-1-one?
The InChIKey is FGPPPIHCDAQECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c7-2-3-4(8)1-5(9)6(3)10/h3,5-7,9-10H,1-2H2.
What are the key properties of 3,4-dihydroxy-2-(hydroxymethyl)cyclopentan-1-one?
3,4-dihydroxy-2-(hydroxymethyl)cyclopentan-1-one has a molecular weight of 146.14 g/mol, XLogP of -1.71, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-2-(hydroxymethyl)cyclopentan-1-one is sourced from PubChem (CID 175199406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).