(2S)-4-chloro-2-ethyl-2-hydroxybutanoic acid

C6H11ClO3 — CID 154487499

IUPAC(2S)-4-chloro-2-ethyl-2-hydroxybutanoic acid
SMILESCC[C@](O)(CCCl)C(=O)O
InChIInChI=1S/C6H11ClO3/c1-2-6(10,3-4-7)5(8)9/h10H,2-4H2,1H3,(H,8,9)/t6-/m0/s1
InChIKeyGWFJVYMRGYQYMY-LURJTMIESA-N
MW166.60 g/mol
LogP0.84
Rot. Bonds4

About (2S)-4-chloro-2-ethyl-2-hydroxybutanoic acid

(2S)-4-chloro-2-ethyl-2-hydroxybutanoic acid (PubChem CID 154487499) has the molecular formula C6H11ClO3 and a molecular weight of 166.60 g/mol. Its IUPAC name is (2S)-4-chloro-2-ethyl-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-chloro-2-ethyl-2-hydroxybutanoic acid
PubChem CID154487499
Molecular FormulaC6H11ClO3
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Name(2S)-4-chloro-2-ethyl-2-hydroxybutanoic acid
SMILESCC[C@](O)(CCCl)C(=O)O
InChIInChI=1S/C6H11ClO3/c1-2-6(10,3-4-7)5(8)9/h10H,2-4H2,1H3,(H,8,9)/t6-/m0/s1
InChIKeyGWFJVYMRGYQYMY-LURJTMIESA-N
XLogP0.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-chloro-2-ethyl-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-chloro-2-ethyl-2-hydroxybutanoic acid (CID 154487499) is (2S)-4-chloro-2-ethyl-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-chloro-2-ethyl-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-chloro-2-ethyl-2-hydroxybutanoic acid is CC[C@](O)(CCCl)C(=O)O.
What is the InChIKey of (2S)-4-chloro-2-ethyl-2-hydroxybutanoic acid?
The InChIKey is GWFJVYMRGYQYMY-LURJTMIESA-N. The full InChI is InChI=1S/C6H11ClO3/c1-2-6(10,3-4-7)5(8)9/h10H,2-4H2,1H3,(H,8,9)/t6-/m0/s1.
What are the key properties of (2S)-4-chloro-2-ethyl-2-hydroxybutanoic acid?
(2S)-4-chloro-2-ethyl-2-hydroxybutanoic acid has a molecular weight of 166.60 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-chloro-2-ethyl-2-hydroxybutanoic acid is sourced from PubChem (CID 154487499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).