2-(dichloromethyl)-2-methyl-1,3-dioxane

C6H10Cl2O2 — CID 12529889

IUPAC2-(dichloromethyl)-2-methyl-1,3-dioxane
SMILESCC1(C(Cl)Cl)OCCCO1
InChIInChI=1S/C6H10Cl2O2/c1-6(5(7)8)9-3-2-4-10-6/h5H,2-4H2,1H3
InChIKeyHSLWKYJKZPQYGZ-UHFFFAOYSA-N
MW185.05 g/mol
LogP1.94
Rot. Bonds1

About 2-(dichloromethyl)-2-methyl-1,3-dioxane

2-(dichloromethyl)-2-methyl-1,3-dioxane (PubChem CID 12529889) has the molecular formula C6H10Cl2O2 and a molecular weight of 185.05 g/mol. Its IUPAC name is 2-(dichloromethyl)-2-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-(dichloromethyl)-2-methyl-1,3-dioxane
PubChem CID12529889
Molecular FormulaC6H10Cl2O2
Molecular Weight185.05 g/mol
Exact Mass184.01
IUPAC Name2-(dichloromethyl)-2-methyl-1,3-dioxane
SMILESCC1(C(Cl)Cl)OCCCO1
InChIInChI=1S/C6H10Cl2O2/c1-6(5(7)8)9-3-2-4-10-6/h5H,2-4H2,1H3
InChIKeyHSLWKYJKZPQYGZ-UHFFFAOYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.05
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(dichloromethyl)-2-methyl-1,3-dioxane?
The IUPAC name of 2-(dichloromethyl)-2-methyl-1,3-dioxane (CID 12529889) is 2-(dichloromethyl)-2-methyl-1,3-dioxane.
What is the SMILES notation for 2-(dichloromethyl)-2-methyl-1,3-dioxane?
The canonical SMILES for 2-(dichloromethyl)-2-methyl-1,3-dioxane is CC1(C(Cl)Cl)OCCCO1.
What is the InChIKey of 2-(dichloromethyl)-2-methyl-1,3-dioxane?
The InChIKey is HSLWKYJKZPQYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2O2/c1-6(5(7)8)9-3-2-4-10-6/h5H,2-4H2,1H3.
What are the key properties of 2-(dichloromethyl)-2-methyl-1,3-dioxane?
2-(dichloromethyl)-2-methyl-1,3-dioxane has a molecular weight of 185.05 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-2-methyl-1,3-dioxane is sourced from PubChem (CID 12529889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).