(2R)-2-butyl-3-(2-phenylethynyl)oxolane

C16H20O — CID 11746391

IUPAC(2R)-2-butyl-3-(2-phenylethynyl)oxolane
SMILESCCCC[C@H]1OCCC1C#Cc1ccccc1
InChIInChI=1S/C16H20O/c1-2-3-9-16-15(12-13-17-16)11-10-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9,12-13H2,1H3/t15?,16-/m1/s1
InChIKeyMAOHAZAKJRVLGX-OEMAIJDKSA-N
MW228.34 g/mol
LogP3.63
Rot. Bonds3

About (2R)-2-butyl-3-(2-phenylethynyl)oxolane

(2R)-2-butyl-3-(2-phenylethynyl)oxolane (PubChem CID 11746391) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is (2R)-2-butyl-3-(2-phenylethynyl)oxolane.

Molecular Properties

Compound Name(2R)-2-butyl-3-(2-phenylethynyl)oxolane
PubChem CID11746391
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name(2R)-2-butyl-3-(2-phenylethynyl)oxolane
SMILESCCCC[C@H]1OCCC1C#Cc1ccccc1
InChIInChI=1S/C16H20O/c1-2-3-9-16-15(12-13-17-16)11-10-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9,12-13H2,1H3/t15?,16-/m1/s1
InChIKeyMAOHAZAKJRVLGX-OEMAIJDKSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-2-butyl-3-(2-phenylethynyl)oxolane 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 (2R)-2-butyl-3-(2-phenylethynyl)oxolane?
The IUPAC name of (2R)-2-butyl-3-(2-phenylethynyl)oxolane (CID 11746391) is (2R)-2-butyl-3-(2-phenylethynyl)oxolane.
What is the SMILES notation for (2R)-2-butyl-3-(2-phenylethynyl)oxolane?
The canonical SMILES for (2R)-2-butyl-3-(2-phenylethynyl)oxolane is CCCC[C@H]1OCCC1C#Cc1ccccc1.
What is the InChIKey of (2R)-2-butyl-3-(2-phenylethynyl)oxolane?
The InChIKey is MAOHAZAKJRVLGX-OEMAIJDKSA-N. The full InChI is InChI=1S/C16H20O/c1-2-3-9-16-15(12-13-17-16)11-10-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9,12-13H2,1H3/t15?,16-/m1/s1.
What are the key properties of (2R)-2-butyl-3-(2-phenylethynyl)oxolane?
(2R)-2-butyl-3-(2-phenylethynyl)oxolane has a molecular weight of 228.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butyl-3-(2-phenylethynyl)oxolane is sourced from PubChem (CID 11746391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).