5-hydroxy-2,2,5-trimethylhexanoic acid

C9H18O3 — CID 79425449

IUPAC5-hydroxy-2,2,5-trimethylhexanoic acid
SMILESCC(C)(O)CCC(C)(C)C(=O)O
InChIInChI=1S/C9H18O3/c1-8(2,7(10)11)5-6-9(3,4)12/h12H,5-6H2,1-4H3,(H,10,11)
InChIKeyBEAGQSJVZJPMED-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.65
Rot. Bonds4

About 5-hydroxy-2,2,5-trimethylhexanoic acid

5-hydroxy-2,2,5-trimethylhexanoic acid (PubChem CID 79425449) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 5-hydroxy-2,2,5-trimethylhexanoic acid.

Molecular Properties

Compound Name5-hydroxy-2,2,5-trimethylhexanoic acid
PubChem CID79425449
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name5-hydroxy-2,2,5-trimethylhexanoic acid
SMILESCC(C)(O)CCC(C)(C)C(=O)O
InChIInChI=1S/C9H18O3/c1-8(2,7(10)11)5-6-9(3,4)12/h12H,5-6H2,1-4H3,(H,10,11)
InChIKeyBEAGQSJVZJPMED-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,2,5-trimethylhexanoic acid?
The IUPAC name of 5-hydroxy-2,2,5-trimethylhexanoic acid (CID 79425449) is 5-hydroxy-2,2,5-trimethylhexanoic acid.
What is the SMILES notation for 5-hydroxy-2,2,5-trimethylhexanoic acid?
The canonical SMILES for 5-hydroxy-2,2,5-trimethylhexanoic acid is CC(C)(O)CCC(C)(C)C(=O)O.
What is the InChIKey of 5-hydroxy-2,2,5-trimethylhexanoic acid?
The InChIKey is BEAGQSJVZJPMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-8(2,7(10)11)5-6-9(3,4)12/h12H,5-6H2,1-4H3,(H,10,11).
What are the key properties of 5-hydroxy-2,2,5-trimethylhexanoic acid?
5-hydroxy-2,2,5-trimethylhexanoic acid has a molecular weight of 174.24 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2,5-trimethylhexanoic acid is sourced from PubChem (CID 79425449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).