2-butoxy-2,6-dimethylpyran

C11H18O2 — CID 3047542

IUPAC2-butoxy-2,6-dimethylpyran
SMILESCCCCOC1(C)C=CC=C(C)O1
InChIInChI=1S/C11H18O2/c1-4-5-9-12-11(3)8-6-7-10(2)13-11/h6-8H,4-5,9H2,1-3H3
InChIKeyYAURLTGVECUOOA-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.01
Rot. Bonds4

About 2-butoxy-2,6-dimethylpyran

2-butoxy-2,6-dimethylpyran (PubChem CID 3047542) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-butoxy-2,6-dimethylpyran.

Molecular Properties

Compound Name2-butoxy-2,6-dimethylpyran
PubChem CID3047542
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-butoxy-2,6-dimethylpyran
SMILESCCCCOC1(C)C=CC=C(C)O1
InChIInChI=1S/C11H18O2/c1-4-5-9-12-11(3)8-6-7-10(2)13-11/h6-8H,4-5,9H2,1-3H3
InChIKeyYAURLTGVECUOOA-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-butoxy-2,6-dimethylpyran 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 2-butoxy-2,6-dimethylpyran?
The IUPAC name of 2-butoxy-2,6-dimethylpyran (CID 3047542) is 2-butoxy-2,6-dimethylpyran.
What is the SMILES notation for 2-butoxy-2,6-dimethylpyran?
The canonical SMILES for 2-butoxy-2,6-dimethylpyran is CCCCOC1(C)C=CC=C(C)O1.
What is the InChIKey of 2-butoxy-2,6-dimethylpyran?
The InChIKey is YAURLTGVECUOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-5-9-12-11(3)8-6-7-10(2)13-11/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 2-butoxy-2,6-dimethylpyran?
2-butoxy-2,6-dimethylpyran has a molecular weight of 182.26 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-2,6-dimethylpyran is sourced from PubChem (CID 3047542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).