1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol

C12H24O4 — CID 22253225

IUPAC1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
SMILESC=CCOCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C12H24O4/c1-5-6-14-8-11(3)16-9-12(4)15-7-10(2)13/h5,10-13H,1,6-9H2,2-4H3
InChIKeyCEYWPSGEISUBHO-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.38
Rot. Bonds10

About 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol

1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol (PubChem CID 22253225) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
PubChem CID22253225
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
SMILESC=CCOCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C12H24O4/c1-5-6-14-8-11(3)16-9-12(4)15-7-10(2)13/h5,10-13H,1,6-9H2,2-4H3
InChIKeyCEYWPSGEISUBHO-UHFFFAOYSA-N
XLogP1.38
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The IUPAC name of 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol (CID 22253225) is 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The canonical SMILES for 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol is C=CCOCC(C)OCC(C)OCC(C)O.
What is the InChIKey of 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The InChIKey is CEYWPSGEISUBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-5-6-14-8-11(3)16-9-12(4)15-7-10(2)13/h5,10-13H,1,6-9H2,2-4H3.
What are the key properties of 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol has a molecular weight of 232.32 g/mol, XLogP of 1.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 22253225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).