2-propan-2-yloxypropanoic acid

C6H12O3 — CID 17046910

IUPAC2-propan-2-yloxypropanoic acid
SMILESCC(C)OC(C)C(=O)O
InChIInChI=1S/C6H12O3/c1-4(2)9-5(3)6(7)8/h4-5H,1-3H3,(H,7,8)
InChIKeyMWDCBSZUHUONCE-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.88
Rot. Bonds3

About 2-propan-2-yloxypropanoic acid

2-propan-2-yloxypropanoic acid (PubChem CID 17046910) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-propan-2-yloxypropanoic acid.

Molecular Properties

Compound Name2-propan-2-yloxypropanoic acid
PubChem CID17046910
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-propan-2-yloxypropanoic acid
SMILESCC(C)OC(C)C(=O)O
InChIInChI=1S/C6H12O3/c1-4(2)9-5(3)6(7)8/h4-5H,1-3H3,(H,7,8)
InChIKeyMWDCBSZUHUONCE-UHFFFAOYSA-N
XLogP0.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxypropanoic acid?
The IUPAC name of 2-propan-2-yloxypropanoic acid (CID 17046910) is 2-propan-2-yloxypropanoic acid.
What is the SMILES notation for 2-propan-2-yloxypropanoic acid?
The canonical SMILES for 2-propan-2-yloxypropanoic acid is CC(C)OC(C)C(=O)O.
What is the InChIKey of 2-propan-2-yloxypropanoic acid?
The InChIKey is MWDCBSZUHUONCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-4(2)9-5(3)6(7)8/h4-5H,1-3H3,(H,7,8).
What are the key properties of 2-propan-2-yloxypropanoic acid?
2-propan-2-yloxypropanoic acid has a molecular weight of 132.16 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxypropanoic acid is sourced from PubChem (CID 17046910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).