2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate

C19H30O5 — CID 139884710

IUPAC2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate
SMILESCC(COC(=O)C(C)C)OCC(C)OCC(C)Oc1ccccc1
InChIInChI=1S/C19H30O5/c1-14(2)19(20)23-12-16(4)21-11-15(3)22-13-17(5)24-18-9-7-6-8-10-18/h6-10,14-17H,11-13H2,1-5H3
InChIKeyORPODHJGTAEVNT-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.46
Rot. Bonds11

About 2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate

2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate (PubChem CID 139884710) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate.

Molecular Properties

Compound Name2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate
PubChem CID139884710
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Name2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate
SMILESCC(COC(=O)C(C)C)OCC(C)OCC(C)Oc1ccccc1
InChIInChI=1S/C19H30O5/c1-14(2)19(20)23-12-16(4)21-11-15(3)22-13-17(5)24-18-9-7-6-8-10-18/h6-10,14-17H,11-13H2,1-5H3
InChIKeyORPODHJGTAEVNT-UHFFFAOYSA-N
XLogP3.46
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate 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-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate?
The IUPAC name of 2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate (CID 139884710) is 2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate.
What is the SMILES notation for 2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate?
The canonical SMILES for 2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate is CC(COC(=O)C(C)C)OCC(C)OCC(C)Oc1ccccc1.
What is the InChIKey of 2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate?
The InChIKey is ORPODHJGTAEVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O5/c1-14(2)19(20)23-12-16(4)21-11-15(3)22-13-17(5)24-18-9-7-6-8-10-18/h6-10,14-17H,11-13H2,1-5H3.
What are the key properties of 2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate?
2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate has a molecular weight of 338.44 g/mol, XLogP of 3.46, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate is sourced from PubChem (CID 139884710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).