1,1-dichloro-2-(2,2-dimethylpropoxy)ethanol

C7H14Cl2O2 — CID 173433079

IUPAC1,1-dichloro-2-(2,2-dimethylpropoxy)ethanol
SMILESCC(C)(C)COCC(O)(Cl)Cl
InChIInChI=1S/C7H14Cl2O2/c1-6(2,3)4-11-5-7(8,9)10/h10H,4-5H2,1-3H3
InChIKeyOCXHJLRXRIGTPB-UHFFFAOYSA-N
MW201.09 g/mol
LogP2.17
Rot. Bonds3

About 1,1-dichloro-2-(2,2-dimethylpropoxy)ethanol

1,1-dichloro-2-(2,2-dimethylpropoxy)ethanol (PubChem CID 173433079) has the molecular formula C7H14Cl2O2 and a molecular weight of 201.09 g/mol. Its IUPAC name is 1,1-dichloro-2-(2,2-dimethylpropoxy)ethanol.

Molecular Properties

Compound Name1,1-dichloro-2-(2,2-dimethylpropoxy)ethanol
PubChem CID173433079
Molecular FormulaC7H14Cl2O2
Molecular Weight201.09 g/mol
Exact Mass200.04
IUPAC Name1,1-dichloro-2-(2,2-dimethylpropoxy)ethanol
SMILESCC(C)(C)COCC(O)(Cl)Cl
InChIInChI=1S/C7H14Cl2O2/c1-6(2,3)4-11-5-7(8,9)10/h10H,4-5H2,1-3H3
InChIKeyOCXHJLRXRIGTPB-UHFFFAOYSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.09
LogP ≤ 52.17
H-Bond Donors ≤ 51
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 1,1-dichloro-2-(2,2-dimethylpropoxy)ethanol?
The IUPAC name of 1,1-dichloro-2-(2,2-dimethylpropoxy)ethanol (CID 173433079) is 1,1-dichloro-2-(2,2-dimethylpropoxy)ethanol.
What is the SMILES notation for 1,1-dichloro-2-(2,2-dimethylpropoxy)ethanol?
The canonical SMILES for 1,1-dichloro-2-(2,2-dimethylpropoxy)ethanol is CC(C)(C)COCC(O)(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-(2,2-dimethylpropoxy)ethanol?
The InChIKey is OCXHJLRXRIGTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Cl2O2/c1-6(2,3)4-11-5-7(8,9)10/h10H,4-5H2,1-3H3.
What are the key properties of 1,1-dichloro-2-(2,2-dimethylpropoxy)ethanol?
1,1-dichloro-2-(2,2-dimethylpropoxy)ethanol has a molecular weight of 201.09 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-(2,2-dimethylpropoxy)ethanol is sourced from PubChem (CID 173433079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).