2-methoxy-6-methyl-6-(trichloromethyl)-2,5-dihydropyran

C8H11Cl3O2 — CID 135039675

IUPAC2-methoxy-6-methyl-6-(trichloromethyl)-2,5-dihydropyran
SMILESCOC1C=CCC(C)(C(Cl)(Cl)Cl)O1
InChIInChI=1S/C8H11Cl3O2/c1-7(8(9,10)11)5-3-4-6(12-2)13-7/h3-4,6H,5H2,1-2H3
InChIKeyANKAMSKFXAUTKQ-UHFFFAOYSA-N
MW245.53 g/mol
LogP3.06
Rot. Bonds1

About 2-methoxy-6-methyl-6-(trichloromethyl)-2,5-dihydropyran

2-methoxy-6-methyl-6-(trichloromethyl)-2,5-dihydropyran (PubChem CID 135039675) has the molecular formula C8H11Cl3O2 and a molecular weight of 245.53 g/mol. Its IUPAC name is 2-methoxy-6-methyl-6-(trichloromethyl)-2,5-dihydropyran.

Molecular Properties

Compound Name2-methoxy-6-methyl-6-(trichloromethyl)-2,5-dihydropyran
PubChem CID135039675
Molecular FormulaC8H11Cl3O2
Molecular Weight245.53 g/mol
Exact Mass243.98
IUPAC Name2-methoxy-6-methyl-6-(trichloromethyl)-2,5-dihydropyran
SMILESCOC1C=CCC(C)(C(Cl)(Cl)Cl)O1
InChIInChI=1S/C8H11Cl3O2/c1-7(8(9,10)11)5-3-4-6(12-2)13-7/h3-4,6H,5H2,1-2H3
InChIKeyANKAMSKFXAUTKQ-UHFFFAOYSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.53
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxy-6-methyl-6-(trichloromethyl)-2,5-dihydropyran 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-methoxy-6-methyl-6-(trichloromethyl)-2,5-dihydropyran?
The IUPAC name of 2-methoxy-6-methyl-6-(trichloromethyl)-2,5-dihydropyran (CID 135039675) is 2-methoxy-6-methyl-6-(trichloromethyl)-2,5-dihydropyran.
What is the SMILES notation for 2-methoxy-6-methyl-6-(trichloromethyl)-2,5-dihydropyran?
The canonical SMILES for 2-methoxy-6-methyl-6-(trichloromethyl)-2,5-dihydropyran is COC1C=CCC(C)(C(Cl)(Cl)Cl)O1.
What is the InChIKey of 2-methoxy-6-methyl-6-(trichloromethyl)-2,5-dihydropyran?
The InChIKey is ANKAMSKFXAUTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl3O2/c1-7(8(9,10)11)5-3-4-6(12-2)13-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-6-(trichloromethyl)-2,5-dihydropyran?
2-methoxy-6-methyl-6-(trichloromethyl)-2,5-dihydropyran has a molecular weight of 245.53 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-6-(trichloromethyl)-2,5-dihydropyran is sourced from PubChem (CID 135039675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).