2,3-diethyl-2-hydroxypentanoic acid

C9H18O3 — CID 79303581

IUPAC2,3-diethyl-2-hydroxypentanoic acid
SMILESCCC(CC)C(O)(CC)C(=O)O
InChIInChI=1S/C9H18O3/c1-4-7(5-2)9(12,6-3)8(10)11/h7,12H,4-6H2,1-3H3,(H,10,11)
InChIKeyZZCBIKCXVINNMS-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.65
Rot. Bonds5

About 2,3-diethyl-2-hydroxypentanoic acid

2,3-diethyl-2-hydroxypentanoic acid (PubChem CID 79303581) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2,3-diethyl-2-hydroxypentanoic acid.

Molecular Properties

Compound Name2,3-diethyl-2-hydroxypentanoic acid
PubChem CID79303581
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2,3-diethyl-2-hydroxypentanoic acid
SMILESCCC(CC)C(O)(CC)C(=O)O
InChIInChI=1S/C9H18O3/c1-4-7(5-2)9(12,6-3)8(10)11/h7,12H,4-6H2,1-3H3,(H,10,11)
InChIKeyZZCBIKCXVINNMS-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxypentane-1,2,3-tricarboxylic acid
CID 19799958
2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid
CID 114868886
2,2,3,3,4-pentaethylhexanoic acid
CID 141157055
2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol
CID 134329051
3-ethyl-2,2-difluoropentanoic acid
CID 53443922
2-hydroxy-2-octan-3-ylbutanedioic acid
CID 174589839
azane;2,2,3,3,4-pentaethylhexanoic acid
CID 174541708
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
2-ethyl-2-hydroxy-3-phenylbutanoic acid
CID 79303573
2,3-dihydroxy-4-methyl-2-propylpentanoic acid
CID 139902815
azanium 3,4-diethyl-4-hydroxyhexanoate
CID 141037486

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-2-hydroxypentanoic acid?
The IUPAC name of 2,3-diethyl-2-hydroxypentanoic acid (CID 79303581) is 2,3-diethyl-2-hydroxypentanoic acid.
What is the SMILES notation for 2,3-diethyl-2-hydroxypentanoic acid?
The canonical SMILES for 2,3-diethyl-2-hydroxypentanoic acid is CCC(CC)C(O)(CC)C(=O)O.
What is the InChIKey of 2,3-diethyl-2-hydroxypentanoic acid?
The InChIKey is ZZCBIKCXVINNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-7(5-2)9(12,6-3)8(10)11/h7,12H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 2,3-diethyl-2-hydroxypentanoic acid?
2,3-diethyl-2-hydroxypentanoic acid has a molecular weight of 174.24 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-2-hydroxypentanoic acid is sourced from PubChem (CID 79303581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).