2-(2-prop-2-enoxypropoxy)propyl acetate

C11H20O4 — CID 525149

IUPAC2-(2-prop-2-enoxypropoxy)propyl acetate
SMILESC=CCOC(C)COC(C)COC(C)=O
InChIInChI=1S/C11H20O4/c1-5-6-13-9(2)7-14-10(3)8-15-11(4)12/h5,9-10H,1,6-8H2,2-4H3
InChIKeyKTOJRRMTHRFSAE-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.55
Rot. Bonds8

About 2-(2-prop-2-enoxypropoxy)propyl acetate

2-(2-prop-2-enoxypropoxy)propyl acetate (PubChem CID 525149) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(2-prop-2-enoxypropoxy)propyl acetate.

Molecular Properties

Compound Name2-(2-prop-2-enoxypropoxy)propyl acetate
PubChem CID525149
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-(2-prop-2-enoxypropoxy)propyl acetate
SMILESC=CCOC(C)COC(C)COC(C)=O
InChIInChI=1S/C11H20O4/c1-5-6-13-9(2)7-14-10(3)8-15-11(4)12/h5,9-10H,1,6-8H2,2-4H3
InChIKeyKTOJRRMTHRFSAE-UHFFFAOYSA-N
XLogP1.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-prop-2-enoxypropoxy)propyl acetate 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 2-(2-prop-2-enoxypropoxy)propyl acetate?
The IUPAC name of 2-(2-prop-2-enoxypropoxy)propyl acetate (CID 525149) is 2-(2-prop-2-enoxypropoxy)propyl acetate.
What is the SMILES notation for 2-(2-prop-2-enoxypropoxy)propyl acetate?
The canonical SMILES for 2-(2-prop-2-enoxypropoxy)propyl acetate is C=CCOC(C)COC(C)COC(C)=O.
What is the InChIKey of 2-(2-prop-2-enoxypropoxy)propyl acetate?
The InChIKey is KTOJRRMTHRFSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-6-13-9(2)7-14-10(3)8-15-11(4)12/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of 2-(2-prop-2-enoxypropoxy)propyl acetate?
2-(2-prop-2-enoxypropoxy)propyl acetate has a molecular weight of 216.28 g/mol, XLogP of 1.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoxypropoxy)propyl acetate is sourced from PubChem (CID 525149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).