5-hydroxy-2,5-bis(2-hydroxyethyl)cyclohex-2-ene-1,4-dione

C10H14O5 — CID 174222335

IUPAC5-hydroxy-2,5-bis(2-hydroxyethyl)cyclohex-2-ene-1,4-dione
SMILESO=C1CC(O)(CCO)C(=O)C=C1CCO
InChIInChI=1S/C10H14O5/c11-3-1-7-5-9(14)10(15,2-4-12)6-8(7)13/h5,11-12,15H,1-4,6H2
InChIKeyPCEOQNDWKSNSFT-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.05
Rot. Bonds4

About 5-hydroxy-2,5-bis(2-hydroxyethyl)cyclohex-2-ene-1,4-dione

5-hydroxy-2,5-bis(2-hydroxyethyl)cyclohex-2-ene-1,4-dione (PubChem CID 174222335) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-hydroxy-2,5-bis(2-hydroxyethyl)cyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name5-hydroxy-2,5-bis(2-hydroxyethyl)cyclohex-2-ene-1,4-dione
PubChem CID174222335
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name5-hydroxy-2,5-bis(2-hydroxyethyl)cyclohex-2-ene-1,4-dione
SMILESO=C1CC(O)(CCO)C(=O)C=C1CCO
InChIInChI=1S/C10H14O5/c11-3-1-7-5-9(14)10(15,2-4-12)6-8(7)13/h5,11-12,15H,1-4,6H2
InChIKeyPCEOQNDWKSNSFT-UHFFFAOYSA-N
XLogP-1.05
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-hydroxy-2,5-bis(2-hydroxyethyl)cyclohex-2-ene-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,5-bis(2-hydroxyethyl)cyclohex-2-ene-1,4-dione?
The IUPAC name of 5-hydroxy-2,5-bis(2-hydroxyethyl)cyclohex-2-ene-1,4-dione (CID 174222335) is 5-hydroxy-2,5-bis(2-hydroxyethyl)cyclohex-2-ene-1,4-dione.
What is the SMILES notation for 5-hydroxy-2,5-bis(2-hydroxyethyl)cyclohex-2-ene-1,4-dione?
The canonical SMILES for 5-hydroxy-2,5-bis(2-hydroxyethyl)cyclohex-2-ene-1,4-dione is O=C1CC(O)(CCO)C(=O)C=C1CCO.
What is the InChIKey of 5-hydroxy-2,5-bis(2-hydroxyethyl)cyclohex-2-ene-1,4-dione?
The InChIKey is PCEOQNDWKSNSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c11-3-1-7-5-9(14)10(15,2-4-12)6-8(7)13/h5,11-12,15H,1-4,6H2.
What are the key properties of 5-hydroxy-2,5-bis(2-hydroxyethyl)cyclohex-2-ene-1,4-dione?
5-hydroxy-2,5-bis(2-hydroxyethyl)cyclohex-2-ene-1,4-dione has a molecular weight of 214.22 g/mol, XLogP of -1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,5-bis(2-hydroxyethyl)cyclohex-2-ene-1,4-dione is sourced from PubChem (CID 174222335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).