3-ethyl-3-hydroxy-2-methylpentanoic acid

C8H16O3 — CID 13460237

IUPAC3-ethyl-3-hydroxy-2-methylpentanoic acid
SMILESCCC(O)(CC)C(C)C(=O)O
InChIInChI=1S/C8H16O3/c1-4-8(11,5-2)6(3)7(9)10/h6,11H,4-5H2,1-3H3,(H,9,10)
InChIKeyWNHLXSHOGSKBJB-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.26
Rot. Bonds4

About 3-ethyl-3-hydroxy-2-methylpentanoic acid

3-ethyl-3-hydroxy-2-methylpentanoic acid (PubChem CID 13460237) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-ethyl-3-hydroxy-2-methylpentanoic acid.

Molecular Properties

Compound Name3-ethyl-3-hydroxy-2-methylpentanoic acid
PubChem CID13460237
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-ethyl-3-hydroxy-2-methylpentanoic acid
SMILESCCC(O)(CC)C(C)C(=O)O
InChIInChI=1S/C8H16O3/c1-4-8(11,5-2)6(3)7(9)10/h6,11H,4-5H2,1-3H3,(H,9,10)
InChIKeyWNHLXSHOGSKBJB-UHFFFAOYSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid
CID 62398612
3-hydroxy-2,3-dimethylhexanoic acid
CID 14452464
3-hydroxy-2,3,5-trimethylhexanoic acid
CID 62399218
3-hydroxy-3-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 62396805
(2R)-2-hydroxy-2,3-dimethylbutanedioic acid
CID 87312032
2,3-diethyl-3-hydroxyheptanoic acid
CID 57207381
3-ethyl-2-methylnonan-3-ol
CID 65146597
2-hydroxybutane-1,2,3-tricarboxylic acid
CID 160778826
2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol
CID 134329051
2-tert-butyl-3-methyl-2-propylbutanedioic acid
CID 88879853
2,4-dimethyl-3,3,4-tripropylheptanoic acid
CID 89380229
5,5-dihydroxy-4-methyl-3-oxoheptanoic acid
CID 142640199

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxy-2-methylpentanoic acid?
The IUPAC name of 3-ethyl-3-hydroxy-2-methylpentanoic acid (CID 13460237) is 3-ethyl-3-hydroxy-2-methylpentanoic acid.
What is the SMILES notation for 3-ethyl-3-hydroxy-2-methylpentanoic acid?
The canonical SMILES for 3-ethyl-3-hydroxy-2-methylpentanoic acid is CCC(O)(CC)C(C)C(=O)O.
What is the InChIKey of 3-ethyl-3-hydroxy-2-methylpentanoic acid?
The InChIKey is WNHLXSHOGSKBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-8(11,5-2)6(3)7(9)10/h6,11H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 3-ethyl-3-hydroxy-2-methylpentanoic acid?
3-ethyl-3-hydroxy-2-methylpentanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxy-2-methylpentanoic acid is sourced from PubChem (CID 13460237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).