5-hydroxy-2-methylhexanoic acid

C7H14O3 — CID 19873756

IUPAC5-hydroxy-2-methylhexanoic acid
SMILESCC(O)CCC(C)C(=O)O
InChIInChI=1S/C7H14O3/c1-5(7(9)10)3-4-6(2)8/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyNXWRHXKJQIAUPV-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.87
Rot. Bonds4

About 5-hydroxy-2-methylhexanoic acid

5-hydroxy-2-methylhexanoic acid (PubChem CID 19873756) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-hydroxy-2-methylhexanoic acid.

Molecular Properties

Compound Name5-hydroxy-2-methylhexanoic acid
PubChem CID19873756
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name5-hydroxy-2-methylhexanoic acid
SMILESCC(O)CCC(C)C(=O)O
InChIInChI=1S/C7H14O3/c1-5(7(9)10)3-4-6(2)8/h5-6,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyNXWRHXKJQIAUPV-UHFFFAOYSA-N
XLogP0.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;hexane-2,5-diol
CID 71365730
2,5-dihydroxyhexanoic acid
CID 18424665
4-amino-2-methylbutanoic acid
CID 3759025
CID 159174397
CID 159174397
(2S)-4-fluoro-2-methylbutanoic acid
CID 89258003
4-hydroxy-2-methylbutanoic acid;hydrochloride
CID 90219221
6-hydroxy-2,5-dimethylhept-6-enoic acid
CID 88859921
(4R,7R)-4,7-dihydroxyoctanoic acid
CID 90401423
pentadecane-2,5,8,11,14-pentol
CID 175190041
ethane;hexane-2,5-diol
CID 143963822
2-tert-butyl-5-hydroxyhexanoic acid
CID 22275994
4-[bis(3-carboxybutyl)phosphanyl]-2-methylbutanoic acid
CID 90308708

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methylhexanoic acid?
The IUPAC name of 5-hydroxy-2-methylhexanoic acid (CID 19873756) is 5-hydroxy-2-methylhexanoic acid.
What is the SMILES notation for 5-hydroxy-2-methylhexanoic acid?
The canonical SMILES for 5-hydroxy-2-methylhexanoic acid is CC(O)CCC(C)C(=O)O.
What is the InChIKey of 5-hydroxy-2-methylhexanoic acid?
The InChIKey is NXWRHXKJQIAUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5(7(9)10)3-4-6(2)8/h5-6,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 5-hydroxy-2-methylhexanoic acid?
5-hydroxy-2-methylhexanoic acid has a molecular weight of 146.19 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methylhexanoic acid is sourced from PubChem (CID 19873756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).