3-hydroxy-4-propan-2-yloxybutanoic acid

C7H14O4 — CID 65416827

IUPAC3-hydroxy-4-propan-2-yloxybutanoic acid
SMILESCC(C)OCC(O)CC(=O)O
InChIInChI=1S/C7H14O4/c1-5(2)11-4-6(8)3-7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyYBROHMXFBJZMLI-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.25
Rot. Bonds5

About 3-hydroxy-4-propan-2-yloxybutanoic acid

3-hydroxy-4-propan-2-yloxybutanoic acid (PubChem CID 65416827) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 3-hydroxy-4-propan-2-yloxybutanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-propan-2-yloxybutanoic acid
PubChem CID65416827
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name3-hydroxy-4-propan-2-yloxybutanoic acid
SMILESCC(C)OCC(O)CC(=O)O
InChIInChI=1S/C7H14O4/c1-5(2)11-4-6(8)3-7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyYBROHMXFBJZMLI-UHFFFAOYSA-N
XLogP0.25
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-propan-2-yloxybutanoic acid?
The IUPAC name of 3-hydroxy-4-propan-2-yloxybutanoic acid (CID 65416827) is 3-hydroxy-4-propan-2-yloxybutanoic acid.
What is the SMILES notation for 3-hydroxy-4-propan-2-yloxybutanoic acid?
The canonical SMILES for 3-hydroxy-4-propan-2-yloxybutanoic acid is CC(C)OCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-4-propan-2-yloxybutanoic acid?
The InChIKey is YBROHMXFBJZMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-5(2)11-4-6(8)3-7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-hydroxy-4-propan-2-yloxybutanoic acid?
3-hydroxy-4-propan-2-yloxybutanoic acid has a molecular weight of 162.18 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-propan-2-yloxybutanoic acid is sourced from PubChem (CID 65416827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).