chloromethoxy(chloromethoxymethoxy)methane

C4H8Cl2O3 — CID 22246685

IUPACchloromethoxy(chloromethoxymethoxy)methane
SMILESClCOCOCOCCl
InChIInChI=1S/C4H8Cl2O3/c5-1-7-3-9-4-8-2-6/h1-4H2
InChIKeyRZTJGUNEEZTTCJ-UHFFFAOYSA-N
MW175.01 g/mol
LogP1.34
Rot. Bonds6

About chloromethoxy(chloromethoxymethoxy)methane

chloromethoxy(chloromethoxymethoxy)methane (PubChem CID 22246685) has the molecular formula C4H8Cl2O3 and a molecular weight of 175.01 g/mol. Its IUPAC name is chloromethoxy(chloromethoxymethoxy)methane.

Molecular Properties

Compound Namechloromethoxy(chloromethoxymethoxy)methane
PubChem CID22246685
Molecular FormulaC4H8Cl2O3
Molecular Weight175.01 g/mol
Exact Mass173.99
IUPAC Namechloromethoxy(chloromethoxymethoxy)methane
SMILESClCOCOCOCCl
InChIInChI=1S/C4H8Cl2O3/c5-1-7-3-9-4-8-2-6/h1-4H2
InChIKeyRZTJGUNEEZTTCJ-UHFFFAOYSA-N
XLogP1.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.01
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloromethoxy(chloromethoxymethoxy)methane?
The IUPAC name of chloromethoxy(chloromethoxymethoxy)methane (CID 22246685) is chloromethoxy(chloromethoxymethoxy)methane.
What is the SMILES notation for chloromethoxy(chloromethoxymethoxy)methane?
The canonical SMILES for chloromethoxy(chloromethoxymethoxy)methane is ClCOCOCOCCl.
What is the InChIKey of chloromethoxy(chloromethoxymethoxy)methane?
The InChIKey is RZTJGUNEEZTTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O3/c5-1-7-3-9-4-8-2-6/h1-4H2.
What are the key properties of chloromethoxy(chloromethoxymethoxy)methane?
chloromethoxy(chloromethoxymethoxy)methane has a molecular weight of 175.01 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethoxy(chloromethoxymethoxy)methane is sourced from PubChem (CID 22246685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).