[chloro(diethoxy)methoxy]ethane

C7H15ClO3 — CID 11469465

IUPAC[chloro(diethoxy)methoxy]ethane
SMILESCCOC(Cl)(OCC)OCC
InChIInChI=1S/C7H15ClO3/c1-4-9-7(8,10-5-2)11-6-3/h4-6H2,1-3H3
InChIKeyYAONPDBOSKSATK-UHFFFAOYSA-N
MW182.65 g/mol
LogP1.95
Rot. Bonds6

About [chloro(diethoxy)methoxy]ethane

[chloro(diethoxy)methoxy]ethane (PubChem CID 11469465) has the molecular formula C7H15ClO3 and a molecular weight of 182.65 g/mol. Its IUPAC name is [chloro(diethoxy)methoxy]ethane.

Molecular Properties

Compound Name[chloro(diethoxy)methoxy]ethane
PubChem CID11469465
Molecular FormulaC7H15ClO3
Molecular Weight182.65 g/mol
Exact Mass182.07
IUPAC Name[chloro(diethoxy)methoxy]ethane
SMILESCCOC(Cl)(OCC)OCC
InChIInChI=1S/C7H15ClO3/c1-4-9-7(8,10-5-2)11-6-3/h4-6H2,1-3H3
InChIKeyYAONPDBOSKSATK-UHFFFAOYSA-N
XLogP1.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [chloro(diethoxy)methoxy]ethane?
The IUPAC name of [chloro(diethoxy)methoxy]ethane (CID 11469465) is [chloro(diethoxy)methoxy]ethane.
What is the SMILES notation for [chloro(diethoxy)methoxy]ethane?
The canonical SMILES for [chloro(diethoxy)methoxy]ethane is CCOC(Cl)(OCC)OCC.
What is the InChIKey of [chloro(diethoxy)methoxy]ethane?
The InChIKey is YAONPDBOSKSATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO3/c1-4-9-7(8,10-5-2)11-6-3/h4-6H2,1-3H3.
What are the key properties of [chloro(diethoxy)methoxy]ethane?
[chloro(diethoxy)methoxy]ethane has a molecular weight of 182.65 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(diethoxy)methoxy]ethane is sourced from PubChem (CID 11469465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).