4-hydroxy-3-methyloctanoic acid

C9H18O3 — CID 19371970

IUPAC4-hydroxy-3-methyloctanoic acid
SMILESCCCCC(O)C(C)CC(=O)O
InChIInChI=1S/C9H18O3/c1-3-4-5-8(10)7(2)6-9(11)12/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyASSMLIFISOILOS-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.65
Rot. Bonds6

About 4-hydroxy-3-methyloctanoic acid

4-hydroxy-3-methyloctanoic acid (PubChem CID 19371970) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-hydroxy-3-methyloctanoic acid.

Molecular Properties

Compound Name4-hydroxy-3-methyloctanoic acid
PubChem CID19371970
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name4-hydroxy-3-methyloctanoic acid
SMILESCCCCC(O)C(C)CC(=O)O
InChIInChI=1S/C9H18O3/c1-3-4-5-8(10)7(2)6-9(11)12/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyASSMLIFISOILOS-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

(3S,4S)-3-hydroxy-4-methyloctanoic acid
CID 70788967
ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid
CID 142967684
3-hydroxy-4-methylnonanoic acid
CID 118395332
3,4-dihydroxypentadecanoic acid
CID 22348655
4-hydroxy-2,3-dimethyloctanoic acid
CID 79414235
(3S,4S)-3,4,8-trimethylhexadecanoic acid
CID 118342315
3-methyloctanoic acid
CID 5312327
3-hydroxyoctanoic acid
CID 159718411
3,8,12,13-tetrahydroxy-10,14-dimethyloctadecanoic acid
CID 21335513
7-methylhexadecan-8-ol
CID 122652609
8-methyltetradecan-7-ol
CID 88908615
3-hydroxytetracosanoic acid
CID 5312781

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyloctanoic acid?
The IUPAC name of 4-hydroxy-3-methyloctanoic acid (CID 19371970) is 4-hydroxy-3-methyloctanoic acid.
What is the SMILES notation for 4-hydroxy-3-methyloctanoic acid?
The canonical SMILES for 4-hydroxy-3-methyloctanoic acid is CCCCC(O)C(C)CC(=O)O.
What is the InChIKey of 4-hydroxy-3-methyloctanoic acid?
The InChIKey is ASSMLIFISOILOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-3-4-5-8(10)7(2)6-9(11)12/h7-8,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-hydroxy-3-methyloctanoic acid?
4-hydroxy-3-methyloctanoic acid has a molecular weight of 174.24 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyloctanoic acid is sourced from PubChem (CID 19371970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).