4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid

C13H24O6 — CID 87468625

IUPAC4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid
SMILESCC(C)OCC(C)OCC(C)OC(=O)CCC(=O)O
InChIInChI=1S/C13H24O6/c1-9(2)17-7-10(3)18-8-11(4)19-13(16)6-5-12(14)15/h9-11H,5-8H2,1-4H3,(H,14,15)
InChIKeyOFOPDNROPIGOLL-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.61
Rot. Bonds10

About 4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid

4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid (PubChem CID 87468625) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid
PubChem CID87468625
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid
SMILESCC(C)OCC(C)OCC(C)OC(=O)CCC(=O)O
InChIInChI=1S/C13H24O6/c1-9(2)17-7-10(3)18-8-11(4)19-13(16)6-5-12(14)15/h9-11H,5-8H2,1-4H3,(H,14,15)
InChIKeyOFOPDNROPIGOLL-UHFFFAOYSA-N
XLogP1.61
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-2-(3-carboxypropanoyloxy)propoxy]-4-oxobutanoic acid
CID 118873147
2-(1-propan-2-yloxypropan-2-yloxy)acetic acid
CID 87458706
2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate
CID 139914306
2-(2-butanoyloxypropoxy)propyl butanoate
CID 91036276
2-[2-(3-sulfanylpropanoyloxy)propoxy]propyl 3-sulfanylpropanoate
CID 87065932
butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 175203515
4-(1-chloroethoxy)-4-oxobutanoic acid
CID 89397010
bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate
CID 131978337
4-(1,2-dihydroxypropoxy)-4-oxobutanoic acid
CID 87640198
1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate
CID 91732580
2-[2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]propoxy]propyl 3-[2-(dimethylamino)ethyl-methylamino]propanoate
CID 59193488
4-(1-butan-2-yloxyethoxy)-4-oxobutanoic acid
CID 21454696

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid?
The IUPAC name of 4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid (CID 87468625) is 4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid.
What is the SMILES notation for 4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid?
The canonical SMILES for 4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid is CC(C)OCC(C)OCC(C)OC(=O)CCC(=O)O.
What is the InChIKey of 4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid?
The InChIKey is OFOPDNROPIGOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c1-9(2)17-7-10(3)18-8-11(4)19-13(16)6-5-12(14)15/h9-11H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid?
4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid has a molecular weight of 276.33 g/mol, XLogP of 1.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid is sourced from PubChem (CID 87468625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).