5-(chloromethyl)-2,2,3,3,5-pentamethyl-1,4-dioxane

C10H19ClO2 — CID 150484078

IUPAC5-(chloromethyl)-2,2,3,3,5-pentamethyl-1,4-dioxane
SMILESCC1(CCl)COC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19ClO2/c1-8(2)9(3,4)13-10(5,6-11)7-12-8/h6-7H2,1-5H3
InChIKeyHUKWRPQYRPJVFD-UHFFFAOYSA-N
MW206.71 g/mol
LogP2.59
Rot. Bonds1

About 5-(chloromethyl)-2,2,3,3,5-pentamethyl-1,4-dioxane

5-(chloromethyl)-2,2,3,3,5-pentamethyl-1,4-dioxane (PubChem CID 150484078) has the molecular formula C10H19ClO2 and a molecular weight of 206.71 g/mol. Its IUPAC name is 5-(chloromethyl)-2,2,3,3,5-pentamethyl-1,4-dioxane.

Molecular Properties

Compound Name5-(chloromethyl)-2,2,3,3,5-pentamethyl-1,4-dioxane
PubChem CID150484078
Molecular FormulaC10H19ClO2
Molecular Weight206.71 g/mol
Exact Mass206.11
IUPAC Name5-(chloromethyl)-2,2,3,3,5-pentamethyl-1,4-dioxane
SMILESCC1(CCl)COC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19ClO2/c1-8(2)9(3,4)13-10(5,6-11)7-12-8/h6-7H2,1-5H3
InChIKeyHUKWRPQYRPJVFD-UHFFFAOYSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.71
LogP ≤ 52.59
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 5-(chloromethyl)-2,2,3,3,5-pentamethyl-1,4-dioxane?
The IUPAC name of 5-(chloromethyl)-2,2,3,3,5-pentamethyl-1,4-dioxane (CID 150484078) is 5-(chloromethyl)-2,2,3,3,5-pentamethyl-1,4-dioxane.
What is the SMILES notation for 5-(chloromethyl)-2,2,3,3,5-pentamethyl-1,4-dioxane?
The canonical SMILES for 5-(chloromethyl)-2,2,3,3,5-pentamethyl-1,4-dioxane is CC1(CCl)COC(C)(C)C(C)(C)O1.
What is the InChIKey of 5-(chloromethyl)-2,2,3,3,5-pentamethyl-1,4-dioxane?
The InChIKey is HUKWRPQYRPJVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO2/c1-8(2)9(3,4)13-10(5,6-11)7-12-8/h6-7H2,1-5H3.
What are the key properties of 5-(chloromethyl)-2,2,3,3,5-pentamethyl-1,4-dioxane?
5-(chloromethyl)-2,2,3,3,5-pentamethyl-1,4-dioxane has a molecular weight of 206.71 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2,2,3,3,5-pentamethyl-1,4-dioxane is sourced from PubChem (CID 150484078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).