2-(dichloromethyl)-4-ethyl-2-methyl-1,3-dioxane

C8H14Cl2O2 — CID 70372525

IUPAC2-(dichloromethyl)-4-ethyl-2-methyl-1,3-dioxane
SMILESCCC1CCOC(C)(C(Cl)Cl)O1
InChIInChI=1S/C8H14Cl2O2/c1-3-6-4-5-11-8(2,12-6)7(9)10/h6-7H,3-5H2,1-2H3
InChIKeyZJEJASKOSVWEIH-UHFFFAOYSA-N
MW213.10 g/mol
LogP2.72
Rot. Bonds2

About 2-(dichloromethyl)-4-ethyl-2-methyl-1,3-dioxane

2-(dichloromethyl)-4-ethyl-2-methyl-1,3-dioxane (PubChem CID 70372525) has the molecular formula C8H14Cl2O2 and a molecular weight of 213.10 g/mol. Its IUPAC name is 2-(dichloromethyl)-4-ethyl-2-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-(dichloromethyl)-4-ethyl-2-methyl-1,3-dioxane
PubChem CID70372525
Molecular FormulaC8H14Cl2O2
Molecular Weight213.10 g/mol
Exact Mass212.04
IUPAC Name2-(dichloromethyl)-4-ethyl-2-methyl-1,3-dioxane
SMILESCCC1CCOC(C)(C(Cl)Cl)O1
InChIInChI=1S/C8H14Cl2O2/c1-3-6-4-5-11-8(2,12-6)7(9)10/h6-7H,3-5H2,1-2H3
InChIKeyZJEJASKOSVWEIH-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.10
LogP ≤ 52.72
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)-4-ethyl-2-methyl-1,3-dioxane?
The IUPAC name of 2-(dichloromethyl)-4-ethyl-2-methyl-1,3-dioxane (CID 70372525) is 2-(dichloromethyl)-4-ethyl-2-methyl-1,3-dioxane.
What is the SMILES notation for 2-(dichloromethyl)-4-ethyl-2-methyl-1,3-dioxane?
The canonical SMILES for 2-(dichloromethyl)-4-ethyl-2-methyl-1,3-dioxane is CCC1CCOC(C)(C(Cl)Cl)O1.
What is the InChIKey of 2-(dichloromethyl)-4-ethyl-2-methyl-1,3-dioxane?
The InChIKey is ZJEJASKOSVWEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2O2/c1-3-6-4-5-11-8(2,12-6)7(9)10/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(dichloromethyl)-4-ethyl-2-methyl-1,3-dioxane?
2-(dichloromethyl)-4-ethyl-2-methyl-1,3-dioxane has a molecular weight of 213.10 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-4-ethyl-2-methyl-1,3-dioxane is sourced from PubChem (CID 70372525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).