4-hydroxy-6-(2-hydroxypropyl)oxan-2-one

C8H14O4 — CID 5316812

IUPAC4-hydroxy-6-(2-hydroxypropyl)oxan-2-one
SMILESCC(O)CC1CC(O)CC(=O)O1
InChIInChI=1S/C8H14O4/c1-5(9)2-7-3-6(10)4-8(11)12-7/h5-7,9-10H,2-4H2,1H3
InChIKeyBIILKGUOIKILLM-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.18
Rot. Bonds2

About 4-hydroxy-6-(2-hydroxypropyl)oxan-2-one

4-hydroxy-6-(2-hydroxypropyl)oxan-2-one (PubChem CID 5316812) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-hydroxy-6-(2-hydroxypropyl)oxan-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(2-hydroxypropyl)oxan-2-one
PubChem CID5316812
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name4-hydroxy-6-(2-hydroxypropyl)oxan-2-one
SMILESCC(O)CC1CC(O)CC(=O)O1
InChIInChI=1S/C8H14O4/c1-5(9)2-7-3-6(10)4-8(11)12-7/h5-7,9-10H,2-4H2,1H3
InChIKeyBIILKGUOIKILLM-UHFFFAOYSA-N
XLogP-0.18
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-6-(2-hydroxypropyl)oxan-2-one 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 4-hydroxy-6-(2-hydroxypropyl)oxan-2-one?
The IUPAC name of 4-hydroxy-6-(2-hydroxypropyl)oxan-2-one (CID 5316812) is 4-hydroxy-6-(2-hydroxypropyl)oxan-2-one.
What is the SMILES notation for 4-hydroxy-6-(2-hydroxypropyl)oxan-2-one?
The canonical SMILES for 4-hydroxy-6-(2-hydroxypropyl)oxan-2-one is CC(O)CC1CC(O)CC(=O)O1.
What is the InChIKey of 4-hydroxy-6-(2-hydroxypropyl)oxan-2-one?
The InChIKey is BIILKGUOIKILLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-5(9)2-7-3-6(10)4-8(11)12-7/h5-7,9-10H,2-4H2,1H3.
What are the key properties of 4-hydroxy-6-(2-hydroxypropyl)oxan-2-one?
4-hydroxy-6-(2-hydroxypropyl)oxan-2-one has a molecular weight of 174.20 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(2-hydroxypropyl)oxan-2-one is sourced from PubChem (CID 5316812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).