2-(2-butanoyloxypropoxy)propyl butanoate

C14H26O5 — CID 91036276

IUPAC2-(2-butanoyloxypropoxy)propyl butanoate
SMILESCCCC(=O)OCC(C)OCC(C)OC(=O)CCC
InChIInChI=1S/C14H26O5/c1-5-7-13(15)18-9-11(3)17-10-12(4)19-14(16)8-6-2/h11-12H,5-10H2,1-4H3
InChIKeyZLNUJPBWTOAWMA-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.47
Rot. Bonds10

About 2-(2-butanoyloxypropoxy)propyl butanoate

2-(2-butanoyloxypropoxy)propyl butanoate (PubChem CID 91036276) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2-butanoyloxypropoxy)propyl butanoate.

Molecular Properties

Compound Name2-(2-butanoyloxypropoxy)propyl butanoate
PubChem CID91036276
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name2-(2-butanoyloxypropoxy)propyl butanoate
SMILESCCCC(=O)OCC(C)OCC(C)OC(=O)CCC
InChIInChI=1S/C14H26O5/c1-5-7-13(15)18-9-11(3)17-10-12(4)19-14(16)8-6-2/h11-12H,5-10H2,1-4H3
InChIKeyZLNUJPBWTOAWMA-UHFFFAOYSA-N
XLogP2.47
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate
CID 139914306
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
2-dodecanoyloxypropyl pentadecanoate
CID 74829220
[(2R)-2-octanoyloxypropyl] octanoate
CID 73416129
2-nonadecanoyloxypropyl nonadecanoate
CID 13161520
[(2R)-2-tetradecanoyloxypropyl] tetradecanoate
CID 99119157
2-pentadecanoyloxypropyl pentadecanoate
CID 13161518
2-(2-ethoxypropoxy)propyl pentanoate
CID 87425057

Frequently Asked Questions

What is the IUPAC name of 2-(2-butanoyloxypropoxy)propyl butanoate?
The IUPAC name of 2-(2-butanoyloxypropoxy)propyl butanoate (CID 91036276) is 2-(2-butanoyloxypropoxy)propyl butanoate.
What is the SMILES notation for 2-(2-butanoyloxypropoxy)propyl butanoate?
The canonical SMILES for 2-(2-butanoyloxypropoxy)propyl butanoate is CCCC(=O)OCC(C)OCC(C)OC(=O)CCC.
What is the InChIKey of 2-(2-butanoyloxypropoxy)propyl butanoate?
The InChIKey is ZLNUJPBWTOAWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-5-7-13(15)18-9-11(3)17-10-12(4)19-14(16)8-6-2/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-(2-butanoyloxypropoxy)propyl butanoate?
2-(2-butanoyloxypropoxy)propyl butanoate has a molecular weight of 274.36 g/mol, XLogP of 2.47, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butanoyloxypropoxy)propyl butanoate is sourced from PubChem (CID 91036276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).