4-(chloromethyl)-2-methyl-1,3-dioxane

C6H11ClO2 — CID 70231457

IUPAC4-(chloromethyl)-2-methyl-1,3-dioxane
SMILESCC1OCCC(CCl)O1
InChIInChI=1S/C6H11ClO2/c1-5-8-3-2-6(4-7)9-5/h5-6H,2-4H2,1H3
InChIKeyRADJDOIKYFZCEP-UHFFFAOYSA-N
MW150.60 g/mol
LogP1.38
Rot. Bonds1

About 4-(chloromethyl)-2-methyl-1,3-dioxane

4-(chloromethyl)-2-methyl-1,3-dioxane (PubChem CID 70231457) has the molecular formula C6H11ClO2 and a molecular weight of 150.60 g/mol. Its IUPAC name is 4-(chloromethyl)-2-methyl-1,3-dioxane.

Molecular Properties

Compound Name4-(chloromethyl)-2-methyl-1,3-dioxane
PubChem CID70231457
Molecular FormulaC6H11ClO2
Molecular Weight150.60 g/mol
Exact Mass150.04
IUPAC Name4-(chloromethyl)-2-methyl-1,3-dioxane
SMILESCC1OCCC(CCl)O1
InChIInChI=1S/C6H11ClO2/c1-5-8-3-2-6(4-7)9-5/h5-6H,2-4H2,1H3
InChIKeyRADJDOIKYFZCEP-UHFFFAOYSA-N
XLogP1.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.60
LogP ≤ 51.38
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 4-(chloromethyl)-2-methyl-1,3-dioxane?
The IUPAC name of 4-(chloromethyl)-2-methyl-1,3-dioxane (CID 70231457) is 4-(chloromethyl)-2-methyl-1,3-dioxane.
What is the SMILES notation for 4-(chloromethyl)-2-methyl-1,3-dioxane?
The canonical SMILES for 4-(chloromethyl)-2-methyl-1,3-dioxane is CC1OCCC(CCl)O1.
What is the InChIKey of 4-(chloromethyl)-2-methyl-1,3-dioxane?
The InChIKey is RADJDOIKYFZCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO2/c1-5-8-3-2-6(4-7)9-5/h5-6H,2-4H2,1H3.
What are the key properties of 4-(chloromethyl)-2-methyl-1,3-dioxane?
4-(chloromethyl)-2-methyl-1,3-dioxane has a molecular weight of 150.60 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-methyl-1,3-dioxane is sourced from PubChem (CID 70231457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).