5-hydroxy-4-propyloxolan-2-one

C7H12O3 — CID 23531071

IUPAC5-hydroxy-4-propyloxolan-2-one
SMILESCCCC1CC(=O)OC1O
InChIInChI=1S/C7H12O3/c1-2-3-5-4-6(8)10-7(5)9/h5,7,9H,2-4H2,1H3
InChIKeyZYEGNRCYTVNHIG-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.67
Rot. Bonds2

About 5-hydroxy-4-propyloxolan-2-one

5-hydroxy-4-propyloxolan-2-one (PubChem CID 23531071) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 5-hydroxy-4-propyloxolan-2-one.

Molecular Properties

Compound Name5-hydroxy-4-propyloxolan-2-one
PubChem CID23531071
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name5-hydroxy-4-propyloxolan-2-one
SMILESCCCC1CC(=O)OC1O
InChIInChI=1S/C7H12O3/c1-2-3-5-4-6(8)10-7(5)9/h5,7,9H,2-4H2,1H3
InChIKeyZYEGNRCYTVNHIG-UHFFFAOYSA-N
XLogP0.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-propyloxolan-2-one?
The IUPAC name of 5-hydroxy-4-propyloxolan-2-one (CID 23531071) is 5-hydroxy-4-propyloxolan-2-one.
What is the SMILES notation for 5-hydroxy-4-propyloxolan-2-one?
The canonical SMILES for 5-hydroxy-4-propyloxolan-2-one is CCCC1CC(=O)OC1O.
What is the InChIKey of 5-hydroxy-4-propyloxolan-2-one?
The InChIKey is ZYEGNRCYTVNHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-3-5-4-6(8)10-7(5)9/h5,7,9H,2-4H2,1H3.
What are the key properties of 5-hydroxy-4-propyloxolan-2-one?
5-hydroxy-4-propyloxolan-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-propyloxolan-2-one is sourced from PubChem (CID 23531071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).