1-[1-(1-ethenoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol

C11H22O4 — CID 22186180

IUPAC1-[1-(1-ethenoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
SMILESC=COCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C11H22O4/c1-5-13-7-10(3)15-8-11(4)14-6-9(2)12/h5,9-12H,1,6-8H2,2-4H3
InChIKeyAZDOEMRKBUIFBA-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.34
Rot. Bonds9

About 1-[1-(1-ethenoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol

1-[1-(1-ethenoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol (PubChem CID 22186180) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 1-[1-(1-ethenoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-(1-ethenoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
PubChem CID22186180
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name1-[1-(1-ethenoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
SMILESC=COCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C11H22O4/c1-5-13-7-10(3)15-8-11(4)14-6-9(2)12/h5,9-12H,1,6-8H2,2-4H3
InChIKeyAZDOEMRKBUIFBA-UHFFFAOYSA-N
XLogP1.34
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethenoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The IUPAC name of 1-[1-(1-ethenoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol (CID 22186180) is 1-[1-(1-ethenoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1-[1-(1-ethenoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The canonical SMILES for 1-[1-(1-ethenoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol is C=COCC(C)OCC(C)OCC(C)O.
What is the InChIKey of 1-[1-(1-ethenoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The InChIKey is AZDOEMRKBUIFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-5-13-7-10(3)15-8-11(4)14-6-9(2)12/h5,9-12H,1,6-8H2,2-4H3.
What are the key properties of 1-[1-(1-ethenoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
1-[1-(1-ethenoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol has a molecular weight of 218.29 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethenoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 22186180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).