2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid

C10H20O3 — CID 114495170

IUPAC2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid
SMILESCCC(CC(C)(O)C(C)C)C(=O)O
InChIInChI=1S/C10H20O3/c1-5-8(9(11)12)6-10(4,13)7(2)3/h7-8,13H,5-6H2,1-4H3,(H,11,12)
InChIKeyVNVMWEWSLURHJL-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.89
Rot. Bonds5

About 2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid

2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid (PubChem CID 114495170) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid
PubChem CID114495170
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid
SMILESCCC(CC(C)(O)C(C)C)C(=O)O
InChIInChI=1S/C10H20O3/c1-5-8(9(11)12)6-10(4,13)7(2)3/h7-8,13H,5-6H2,1-4H3,(H,11,12)
InChIKeyVNVMWEWSLURHJL-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 87086045
CID 87086045
ethane;2-ethylbutanoic acid
CID 142229949
CID 123134376
CID 123134376
magnesium;bis(2-ethylbutanoic acid);hydride
CID 174895693
2,5-diethyl-3-methylhexanedioic acid
CID 173451438
5,7,7,7-tetrachloro-2-ethyl-4,4-dimethylheptanoic acid
CID 88786407
(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 12602165
2-ethylbutanoic acid;2-methylpentanoic acid
CID 140982788
2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid
CID 62487077
(2R)-2-(hydroxymethyl)butanoic acid
CID 11586303
(2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 86635226
2-ethylpentanoic acid
CID 158993232

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid?
The IUPAC name of 2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid (CID 114495170) is 2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid.
What is the SMILES notation for 2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid?
The canonical SMILES for 2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid is CCC(CC(C)(O)C(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid?
The InChIKey is VNVMWEWSLURHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-8(9(11)12)6-10(4,13)7(2)3/h7-8,13H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid?
2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid has a molecular weight of 188.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid is sourced from PubChem (CID 114495170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).