2-(1-propan-2-yloxypropan-2-yloxy)acetic acid

C8H16O4 — CID 87458706

IUPAC2-(1-propan-2-yloxypropan-2-yloxy)acetic acid
SMILESCC(C)OCC(C)OCC(=O)O
InChIInChI=1S/C8H16O4/c1-6(2)11-4-7(3)12-5-8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)
InChIKeyHZPHCEUJXTVYDR-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.90
Rot. Bonds6

About 2-(1-propan-2-yloxypropan-2-yloxy)acetic acid

2-(1-propan-2-yloxypropan-2-yloxy)acetic acid (PubChem CID 87458706) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-(1-propan-2-yloxypropan-2-yloxy)acetic acid.

Molecular Properties

Compound Name2-(1-propan-2-yloxypropan-2-yloxy)acetic acid
PubChem CID87458706
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-(1-propan-2-yloxypropan-2-yloxy)acetic acid
SMILESCC(C)OCC(C)OCC(=O)O
InChIInChI=1S/C8H16O4/c1-6(2)11-4-7(3)12-5-8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)
InChIKeyHZPHCEUJXTVYDR-UHFFFAOYSA-N
XLogP0.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxypropan-2-yloxy)acetic acid
CID 23129856
2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817
acetic acid;2-methoxy-1-propan-2-yloxypropane
CID 172787962
2-[1-(dimethylamino)propan-2-yloxy]acetic acid
CID 138038028
4-oxo-4-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]butanoic acid
CID 87468625
2,2-dimethyloxirane;2-propan-2-yloxyacetic acid
CID 174557702
2-[(1S)-1-cyclopropylethoxy]acetic acid
CID 86330953
3-hydroxy-4-propan-2-yloxybutanoic acid
CID 65416827
3-methyl-2-(propan-2-yloxymethyl)butanoic acid
CID 12874289
2-(1-methoxyethoxy)acetic acid;zinc
CID 174204539
2-dec-9-yn-2-yloxyacetic acid
CID 90708340
(2S)-2-(2-ethoxypropoxy)propanoic acid
CID 151300849

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-yloxypropan-2-yloxy)acetic acid?
The IUPAC name of 2-(1-propan-2-yloxypropan-2-yloxy)acetic acid (CID 87458706) is 2-(1-propan-2-yloxypropan-2-yloxy)acetic acid.
What is the SMILES notation for 2-(1-propan-2-yloxypropan-2-yloxy)acetic acid?
The canonical SMILES for 2-(1-propan-2-yloxypropan-2-yloxy)acetic acid is CC(C)OCC(C)OCC(=O)O.
What is the InChIKey of 2-(1-propan-2-yloxypropan-2-yloxy)acetic acid?
The InChIKey is HZPHCEUJXTVYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-6(2)11-4-7(3)12-5-8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-(1-propan-2-yloxypropan-2-yloxy)acetic acid?
2-(1-propan-2-yloxypropan-2-yloxy)acetic acid has a molecular weight of 176.21 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-yloxypropan-2-yloxy)acetic acid is sourced from PubChem (CID 87458706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).