2-(2-ethenoxypropan-2-yloxy)ethanol

C7H14O3 — CID 139914794

IUPAC2-(2-ethenoxypropan-2-yloxy)ethanol
SMILESC=COC(C)(C)OCCO
InChIInChI=1S/C7H14O3/c1-4-9-7(2,3)10-6-5-8/h4,8H,1,5-6H2,2-3H3
InChIKeyCHRMEVQQXIJXHW-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.89
Rot. Bonds5

About 2-(2-ethenoxypropan-2-yloxy)ethanol

2-(2-ethenoxypropan-2-yloxy)ethanol (PubChem CID 139914794) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(2-ethenoxypropan-2-yloxy)ethanol.

Molecular Properties

Compound Name2-(2-ethenoxypropan-2-yloxy)ethanol
PubChem CID139914794
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-(2-ethenoxypropan-2-yloxy)ethanol
SMILESC=COC(C)(C)OCCO
InChIInChI=1S/C7H14O3/c1-4-9-7(2,3)10-6-5-8/h4,8H,1,5-6H2,2-3H3
InChIKeyCHRMEVQQXIJXHW-UHFFFAOYSA-N
XLogP0.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 2-(2-ethenoxypropan-2-yloxy)ethanol?
The IUPAC name of 2-(2-ethenoxypropan-2-yloxy)ethanol (CID 139914794) is 2-(2-ethenoxypropan-2-yloxy)ethanol.
What is the SMILES notation for 2-(2-ethenoxypropan-2-yloxy)ethanol?
The canonical SMILES for 2-(2-ethenoxypropan-2-yloxy)ethanol is C=COC(C)(C)OCCO.
What is the InChIKey of 2-(2-ethenoxypropan-2-yloxy)ethanol?
The InChIKey is CHRMEVQQXIJXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-9-7(2,3)10-6-5-8/h4,8H,1,5-6H2,2-3H3.
What are the key properties of 2-(2-ethenoxypropan-2-yloxy)ethanol?
2-(2-ethenoxypropan-2-yloxy)ethanol has a molecular weight of 146.19 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxypropan-2-yloxy)ethanol is sourced from PubChem (CID 139914794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).