2,2-bis(chloromethyl)-1,3-dioxane

C6H10Cl2O2 — CID 3829870

IUPAC2,2-bis(chloromethyl)-1,3-dioxane
SMILESClCC1(CCl)OCCCO1
InChIInChI=1S/C6H10Cl2O2/c7-4-6(5-8)9-2-1-3-10-6/h1-5H2
InChIKeyJCRPRRSNULCPGB-UHFFFAOYSA-N
MW185.05 g/mol
LogP1.60
Rot. Bonds2

About 2,2-bis(chloromethyl)-1,3-dioxane

2,2-bis(chloromethyl)-1,3-dioxane (PubChem CID 3829870) has the molecular formula C6H10Cl2O2 and a molecular weight of 185.05 g/mol. Its IUPAC name is 2,2-bis(chloromethyl)-1,3-dioxane.

Molecular Properties

Compound Name2,2-bis(chloromethyl)-1,3-dioxane
PubChem CID3829870
Molecular FormulaC6H10Cl2O2
Molecular Weight185.05 g/mol
Exact Mass184.01
IUPAC Name2,2-bis(chloromethyl)-1,3-dioxane
SMILESClCC1(CCl)OCCCO1
InChIInChI=1S/C6H10Cl2O2/c7-4-6(5-8)9-2-1-3-10-6/h1-5H2
InChIKeyJCRPRRSNULCPGB-UHFFFAOYSA-N
XLogP1.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.05
LogP ≤ 51.60
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 2,2-bis(chloromethyl)-1,3-dioxane?
The IUPAC name of 2,2-bis(chloromethyl)-1,3-dioxane (CID 3829870) is 2,2-bis(chloromethyl)-1,3-dioxane.
What is the SMILES notation for 2,2-bis(chloromethyl)-1,3-dioxane?
The canonical SMILES for 2,2-bis(chloromethyl)-1,3-dioxane is ClCC1(CCl)OCCCO1.
What is the InChIKey of 2,2-bis(chloromethyl)-1,3-dioxane?
The InChIKey is JCRPRRSNULCPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2O2/c7-4-6(5-8)9-2-1-3-10-6/h1-5H2.
What are the key properties of 2,2-bis(chloromethyl)-1,3-dioxane?
2,2-bis(chloromethyl)-1,3-dioxane has a molecular weight of 185.05 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(chloromethyl)-1,3-dioxane is sourced from PubChem (CID 3829870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).