2-[2-(2-methoxypropoxy)propoxy]propyl 4-oxopentanoate

C15H28O6 — CID 88992784

IUPAC2-[2-(2-methoxypropoxy)propoxy]propyl 4-oxopentanoate
SMILESCOC(C)COC(C)COC(C)COC(=O)CCC(C)=O
InChIInChI=1S/C15H28O6/c1-11(16)6-7-15(17)21-10-14(4)20-9-13(3)19-8-12(2)18-5/h12-14H,6-10H2,1-5H3
InChIKeyOYIXPLFEQVYSCL-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.74
Rot. Bonds12

About 2-[2-(2-methoxypropoxy)propoxy]propyl 4-oxopentanoate

2-[2-(2-methoxypropoxy)propoxy]propyl 4-oxopentanoate (PubChem CID 88992784) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-[2-(2-methoxypropoxy)propoxy]propyl 4-oxopentanoate.

Molecular Properties

Compound Name2-[2-(2-methoxypropoxy)propoxy]propyl 4-oxopentanoate
PubChem CID88992784
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Name2-[2-(2-methoxypropoxy)propoxy]propyl 4-oxopentanoate
SMILESCOC(C)COC(C)COC(C)COC(=O)CCC(C)=O
InChIInChI=1S/C15H28O6/c1-11(16)6-7-15(17)21-10-14(4)20-9-13(3)19-8-12(2)18-5/h12-14H,6-10H2,1-5H3
InChIKeyOYIXPLFEQVYSCL-UHFFFAOYSA-N
XLogP1.74
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis[2-(2-methoxypropoxy)propyl] carbonate
CID 139751195
2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate
CID 139914306
2-(2-butanoyloxypropoxy)propyl butanoate
CID 91036276
[3-hydroxy-2-(hydroxymethyl)propyl] 2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propyl carbonate
CID 58205591
(4-methoxy-2-methylbutyl) 4-oxopentanoate
CID 18345462
2-[2-(3-sulfanylpropanoyloxy)propoxy]propyl 3-sulfanylpropanoate
CID 87065932
2-(2-ethoxypropoxy)propyl pentanoate
CID 87425057
acetic acid;2-methoxy-1-propan-2-yloxypropane
CID 172787962
2,3-dihydroxypropyl 4-oxopentanoate;hydrate
CID 87111192
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 87903083
2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 87899211
2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate
CID 59193488

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxypropoxy)propoxy]propyl 4-oxopentanoate?
The IUPAC name of 2-[2-(2-methoxypropoxy)propoxy]propyl 4-oxopentanoate (CID 88992784) is 2-[2-(2-methoxypropoxy)propoxy]propyl 4-oxopentanoate.
What is the SMILES notation for 2-[2-(2-methoxypropoxy)propoxy]propyl 4-oxopentanoate?
The canonical SMILES for 2-[2-(2-methoxypropoxy)propoxy]propyl 4-oxopentanoate is COC(C)COC(C)COC(C)COC(=O)CCC(C)=O.
What is the InChIKey of 2-[2-(2-methoxypropoxy)propoxy]propyl 4-oxopentanoate?
The InChIKey is OYIXPLFEQVYSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O6/c1-11(16)6-7-15(17)21-10-14(4)20-9-13(3)19-8-12(2)18-5/h12-14H,6-10H2,1-5H3.
What are the key properties of 2-[2-(2-methoxypropoxy)propoxy]propyl 4-oxopentanoate?
2-[2-(2-methoxypropoxy)propoxy]propyl 4-oxopentanoate has a molecular weight of 304.38 g/mol, XLogP of 1.74, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxypropoxy)propoxy]propyl 4-oxopentanoate is sourced from PubChem (CID 88992784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).