4-(dichloromethyl)-4H-pyran

C6H6Cl2O — CID 119097388

IUPAC4-(dichloromethyl)-4H-pyran
SMILESClC(Cl)C1C=COC=C1
InChIInChI=1S/C6H6Cl2O/c7-6(8)5-1-3-9-4-2-5/h1-6H
InChIKeyMYXMDOJMYHHVIH-UHFFFAOYSA-N
MW165.02 g/mol
LogP2.46
Rot. Bonds1

About 4-(dichloromethyl)-4H-pyran

4-(dichloromethyl)-4H-pyran (PubChem CID 119097388) has the molecular formula C6H6Cl2O and a molecular weight of 165.02 g/mol. Its IUPAC name is 4-(dichloromethyl)-4H-pyran.

Molecular Properties

Compound Name4-(dichloromethyl)-4H-pyran
PubChem CID119097388
Molecular FormulaC6H6Cl2O
Molecular Weight165.02 g/mol
Exact Mass163.98
IUPAC Name4-(dichloromethyl)-4H-pyran
SMILESClC(Cl)C1C=COC=C1
InChIInChI=1S/C6H6Cl2O/c7-6(8)5-1-3-9-4-2-5/h1-6H
InChIKeyMYXMDOJMYHHVIH-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.02
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dichloromethyl)-4H-pyran?
The IUPAC name of 4-(dichloromethyl)-4H-pyran (CID 119097388) is 4-(dichloromethyl)-4H-pyran.
What is the SMILES notation for 4-(dichloromethyl)-4H-pyran?
The canonical SMILES for 4-(dichloromethyl)-4H-pyran is ClC(Cl)C1C=COC=C1.
What is the InChIKey of 4-(dichloromethyl)-4H-pyran?
The InChIKey is MYXMDOJMYHHVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2O/c7-6(8)5-1-3-9-4-2-5/h1-6H.
What are the key properties of 4-(dichloromethyl)-4H-pyran?
4-(dichloromethyl)-4H-pyran has a molecular weight of 165.02 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dichloromethyl)-4H-pyran is sourced from PubChem (CID 119097388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).