4-(1-hydroxyethyl)-3-propyloxetan-2-one

C8H14O3 — CID 139924529

IUPAC4-(1-hydroxyethyl)-3-propyloxetan-2-one
SMILESCCCC1C(=O)OC1C(C)O
InChIInChI=1S/C8H14O3/c1-3-4-6-7(5(2)9)11-8(6)10/h5-7,9H,3-4H2,1-2H3
InChIKeyLUJLCYKQKIDZTE-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.71
Rot. Bonds3

About 4-(1-hydroxyethyl)-3-propyloxetan-2-one

4-(1-hydroxyethyl)-3-propyloxetan-2-one (PubChem CID 139924529) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-3-propyloxetan-2-one.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-3-propyloxetan-2-one
PubChem CID139924529
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-(1-hydroxyethyl)-3-propyloxetan-2-one
SMILESCCCC1C(=O)OC1C(C)O
InChIInChI=1S/C8H14O3/c1-3-4-6-7(5(2)9)11-8(6)10/h5-7,9H,3-4H2,1-2H3
InChIKeyLUJLCYKQKIDZTE-UHFFFAOYSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

Analyze 4-(1-hydroxyethyl)-3-propyloxetan-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

Related Compounds

(3S,4S,5R)-4-hydroxy-5-[(1S)-1-hydroxyethyl]-3-(2,2,2-trifluoroethyl)oxolan-2-one
CID 72547437
(3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one
CID 124879599
4-hydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-one
CID 13237842
1-[(2S,3S)-3-propyloxiran-2-yl]ethanol
CID 130905910
3-hexadecyl-4-(2-hydroxypropyl)oxetan-2-one
CID 19794812
(3S,4S)-3-pentyl-4-propyloxetan-2-one
CID 86576801
4,5,6,7-tetrapropyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CID 102187919
(3S,4S)-4-[(2S)-2-hydroxynonyl]-3-(8-methylnonyl)oxetan-2-one
CID 87146053
(5R)-4-hydroxy-5-propan-2-yl-3-prop-2-enyloxolan-2-one
CID 142893830
(3S,4S)-3-hexyl-4-(2-hydroxytridec-5-enyl)oxetan-2-one
CID 173122595
(3S,4S)-3-hexyl-4-[(E,2R)-2-hydroxynon-5-enyl]oxetan-2-one
CID 89185571
(3S,4S)-3-hexyl-4-[(E,2R)-2-hydroxytridec-5-enyl]oxetan-2-one
CID 101414834

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-3-propyloxetan-2-one?
The IUPAC name of 4-(1-hydroxyethyl)-3-propyloxetan-2-one (CID 139924529) is 4-(1-hydroxyethyl)-3-propyloxetan-2-one.
What is the SMILES notation for 4-(1-hydroxyethyl)-3-propyloxetan-2-one?
The canonical SMILES for 4-(1-hydroxyethyl)-3-propyloxetan-2-one is CCCC1C(=O)OC1C(C)O.
What is the InChIKey of 4-(1-hydroxyethyl)-3-propyloxetan-2-one?
The InChIKey is LUJLCYKQKIDZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-4-6-7(5(2)9)11-8(6)10/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 4-(1-hydroxyethyl)-3-propyloxetan-2-one?
4-(1-hydroxyethyl)-3-propyloxetan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-3-propyloxetan-2-one is sourced from PubChem (CID 139924529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).