3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid

C13H26O5 — CID 87458831

IUPAC3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid
SMILESCC(COC(C)COC(C)(C)C)OCCC(=O)O
InChIInChI=1S/C13H26O5/c1-10(16-7-6-12(14)15)8-17-11(2)9-18-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,15)
InChIKeyODWGTJIPTACSIG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.09
Rot. Bonds9

About 3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid

3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid (PubChem CID 87458831) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid.

Molecular Properties

Compound Name3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid
PubChem CID87458831
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid
SMILESCC(COC(C)COC(C)(C)C)OCCC(=O)O
InChIInChI=1S/C13H26O5/c1-10(16-7-6-12(14)15)8-17-11(2)9-18-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,15)
InChIKeyODWGTJIPTACSIG-UHFFFAOYSA-N
XLogP2.09
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid
CID 87458955
[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate
CID 87499609
1-[(2-methylpropan-2-yl)oxy]propan-2-yl 2-oxopropanoate
CID 150313177
3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid
CID 65439316
butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 175203515
2,2-bis[2-(2-butoxypropoxy)propyl]hexanedioic acid
CID 89077663
4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid
CID 87468625
4-(1-ethoxypropan-2-yloxy)butanoic acid
CID 103486155
3,3,4-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentanoic acid
CID 130214670
3-(2-butan-2-yloxyethoxy)propanoic acid
CID 59266758
3-(2-methylpropoxy)propanoic acid
CID 15033462
1-[(2-methylpropan-2-yl)oxy]propan-2-yl (E)-2-methylbut-2-enoate
CID 91698187

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid?
The IUPAC name of 3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid (CID 87458831) is 3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid.
What is the SMILES notation for 3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid?
The canonical SMILES for 3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid is CC(COC(C)COC(C)(C)C)OCCC(=O)O.
What is the InChIKey of 3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid?
The InChIKey is ODWGTJIPTACSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-10(16-7-6-12(14)15)8-17-11(2)9-18-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,15).
What are the key properties of 3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid?
3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid is sourced from PubChem (CID 87458831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).