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

C10H20O4 — CID 87458955

IUPAC3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid
SMILESCC(COC(C)(C)C)OCCC(=O)O
InChIInChI=1S/C10H20O4/c1-8(7-14-10(2,3)4)13-6-5-9(11)12/h8H,5-7H2,1-4H3,(H,11,12)
InChIKeyJRMPOPVTLXHKFV-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.68
Rot. Bonds6

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

3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid (PubChem CID 87458955) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid.

Molecular Properties

Compound Name3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid
PubChem CID87458955
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid
SMILESCC(COC(C)(C)C)OCCC(=O)O
InChIInChI=1S/C10H20O4/c1-8(7-14-10(2,3)4)13-6-5-9(11)12/h8H,5-7H2,1-4H3,(H,11,12)
InChIKeyJRMPOPVTLXHKFV-UHFFFAOYSA-N
XLogP1.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid
CID 87458831
[(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
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
3-[1-(2-aminoethoxy)ethoxy]propanoic acid
CID 140704240
2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 23363391
4-(2-methoxyethoxy)pentanoic acid
CID 62215225

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid?
The IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid (CID 87458955) is 3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid.
What is the SMILES notation for 3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid?
The canonical SMILES for 3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid is CC(COC(C)(C)C)OCCC(=O)O.
What is the InChIKey of 3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid?
The InChIKey is JRMPOPVTLXHKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-8(7-14-10(2,3)4)13-6-5-9(11)12/h8H,5-7H2,1-4H3,(H,11,12).
What are the key properties of 3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid?
3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid has a molecular weight of 204.27 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid is sourced from PubChem (CID 87458955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).