5-hydroxy-2,4-dimethylheptanoic acid

C9H18O3 — CID 59763149

IUPAC5-hydroxy-2,4-dimethylheptanoic acid
SMILESCCC(O)C(C)CC(C)C(=O)O
InChIInChI=1S/C9H18O3/c1-4-8(10)6(2)5-7(3)9(11)12/h6-8,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyQCUQQFIESOSMIJ-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.50
Rot. Bonds5

About 5-hydroxy-2,4-dimethylheptanoic acid

5-hydroxy-2,4-dimethylheptanoic acid (PubChem CID 59763149) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 5-hydroxy-2,4-dimethylheptanoic acid.

Molecular Properties

Compound Name5-hydroxy-2,4-dimethylheptanoic acid
PubChem CID59763149
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name5-hydroxy-2,4-dimethylheptanoic acid
SMILESCCC(O)C(C)CC(C)C(=O)O
InChIInChI=1S/C9H18O3/c1-4-8(10)6(2)5-7(3)9(11)12/h6-8,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyQCUQQFIESOSMIJ-UHFFFAOYSA-N
XLogP1.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2,4,6,8-tetramethyldecanoic acid
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CID 88513173
CID 88513173
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CID 170549792
methane;(2S)-2-methylbutanoic acid
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iron;2-methylbutanoic acid
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ethane;2-methylbutanoic acid
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3-hydroxy-2-propan-2-ylpentanoic acid
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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,4-dimethylheptanoic acid?
The IUPAC name of 5-hydroxy-2,4-dimethylheptanoic acid (CID 59763149) is 5-hydroxy-2,4-dimethylheptanoic acid.
What is the SMILES notation for 5-hydroxy-2,4-dimethylheptanoic acid?
The canonical SMILES for 5-hydroxy-2,4-dimethylheptanoic acid is CCC(O)C(C)CC(C)C(=O)O.
What is the InChIKey of 5-hydroxy-2,4-dimethylheptanoic acid?
The InChIKey is QCUQQFIESOSMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-8(10)6(2)5-7(3)9(11)12/h6-8,10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 5-hydroxy-2,4-dimethylheptanoic acid?
5-hydroxy-2,4-dimethylheptanoic acid has a molecular weight of 174.24 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,4-dimethylheptanoic acid is sourced from PubChem (CID 59763149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).