2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate

C17H32O6 — CID 139914306

IUPAC2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate
SMILESCCCC(=O)OCC(C)OCC(C)OCC(C)OC(=O)CCC
InChIInChI=1S/C17H32O6/c1-6-8-16(18)22-11-14(4)20-10-13(3)21-12-15(5)23-17(19)9-7-2/h13-15H,6-12H2,1-5H3
InChIKeyIAUQXZZYAUNRRU-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.87
Rot. Bonds13

About 2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate

2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate (PubChem CID 139914306) has the molecular formula C17H32O6 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate.

Molecular Properties

Compound Name2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate
PubChem CID139914306
Molecular FormulaC17H32O6
Molecular Weight332.44 g/mol
Exact Mass332.22
IUPAC Name2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate
SMILESCCCC(=O)OCC(C)OCC(C)OCC(C)OC(=O)CCC
InChIInChI=1S/C17H32O6/c1-6-8-16(18)22-11-14(4)20-10-13(3)21-12-15(5)23-17(19)9-7-2/h13-15H,6-12H2,1-5H3
InChIKeyIAUQXZZYAUNRRU-UHFFFAOYSA-N
XLogP2.87
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-butanoyloxypropoxy)propyl butanoate
CID 91036276
2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propyl butanoate
CID 59202459
2-[2-(3-sulfanylpropanoyloxy)propoxy]propyl 3-sulfanylpropanoate
CID 87065932
[(2S)-2-butanoyloxypropyl] hexadecanoate
CID 138105943
2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate
CID 59193488
2-[2-[2-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxy]propoxy]propoxy]propyl pentanoate
CID 143697641
[(2R)-2-tetradecanoyloxypropyl] tetradecanoate
CID 99119157
2-dodecanoyloxypropyl pentadecanoate
CID 74829220
[(2R)-2-octanoyloxypropyl] octanoate
CID 73416129
2-nonadecanoyloxypropyl nonadecanoate
CID 13161520
2-pentadecanoyloxypropyl pentadecanoate
CID 13161518
2-(2-ethoxypropoxy)propyl pentanoate
CID 87425057

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate?
The IUPAC name of 2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate (CID 139914306) is 2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate.
What is the SMILES notation for 2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate?
The canonical SMILES for 2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate is CCCC(=O)OCC(C)OCC(C)OCC(C)OC(=O)CCC.
What is the InChIKey of 2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate?
The InChIKey is IAUQXZZYAUNRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O6/c1-6-8-16(18)22-11-14(4)20-10-13(3)21-12-15(5)23-17(19)9-7-2/h13-15H,6-12H2,1-5H3.
What are the key properties of 2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate?
2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate has a molecular weight of 332.44 g/mol, XLogP of 2.87, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate is sourced from PubChem (CID 139914306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).