2,6-dichlorooxane

C5H8Cl2O — CID 524397

IUPAC2,6-dichlorooxane
SMILESClC1CCCC(Cl)O1
InChIInChI=1S/C5H8Cl2O/c6-4-2-1-3-5(7)8-4/h4-5H,1-3H2
InChIKeyVPNYLBRZFCLADG-UHFFFAOYSA-N
MW155.02 g/mol
LogP2.32
Rot. Bonds

About 2,6-dichlorooxane

2,6-dichlorooxane (PubChem CID 524397) has the molecular formula C5H8Cl2O and a molecular weight of 155.02 g/mol. Its IUPAC name is 2,6-dichlorooxane.

Molecular Properties

Compound Name2,6-dichlorooxane
PubChem CID524397
Molecular FormulaC5H8Cl2O
Molecular Weight155.02 g/mol
Exact Mass154.00
IUPAC Name2,6-dichlorooxane
SMILESClC1CCCC(Cl)O1
InChIInChI=1S/C5H8Cl2O/c6-4-2-1-3-5(7)8-4/h4-5H,1-3H2
InChIKeyVPNYLBRZFCLADG-UHFFFAOYSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.02
LogP ≤ 52.32
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 2,6-dichlorooxane?
The IUPAC name of 2,6-dichlorooxane (CID 524397) is 2,6-dichlorooxane.
What is the SMILES notation for 2,6-dichlorooxane?
The canonical SMILES for 2,6-dichlorooxane is ClC1CCCC(Cl)O1.
What is the InChIKey of 2,6-dichlorooxane?
The InChIKey is VPNYLBRZFCLADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2O/c6-4-2-1-3-5(7)8-4/h4-5H,1-3H2.
What are the key properties of 2,6-dichlorooxane?
2,6-dichlorooxane has a molecular weight of 155.02 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorooxane is sourced from PubChem (CID 524397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).