(4S)-4-hydroxyhexanoic acid

C6H12O3 — CID 14057564

IUPAC(4S)-4-hydroxyhexanoic acid
SMILESCC[C@H](O)CCC(=O)O
InChIInChI=1S/C6H12O3/c1-2-5(7)3-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyABIKNKURIGPIRJ-YFKPBYRVSA-N
MW132.16 g/mol
LogP0.62
Rot. Bonds4

About (4S)-4-hydroxyhexanoic acid

(4S)-4-hydroxyhexanoic acid (PubChem CID 14057564) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (4S)-4-hydroxyhexanoic acid.

Molecular Properties

Compound Name(4S)-4-hydroxyhexanoic acid
PubChem CID14057564
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(4S)-4-hydroxyhexanoic acid
SMILESCC[C@H](O)CCC(=O)O
InChIInChI=1S/C6H12O3/c1-2-5(7)3-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyABIKNKURIGPIRJ-YFKPBYRVSA-N
XLogP0.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dihydroxyoctanoic acid
CID 137380619
(5R)-5-hydroxyheptanoic acid
CID 14029725
2-(3-hydroxypentyl)pentanedioic acid
CID 134211777
15-hydroxyheptadecanoic acid
CID 14454507
27-hydroxynonacosanoic acid
CID 169277027
4,7,10-trihydroxytridecanedioic acid
CID 174508120
4-hydroxyoctanoic acid
CID 159216758
6-hydroxyoctan-3-one
CID 15920952
hept-1-ene-2,5-diol
CID 140988002
(4R,7R)-4,7-dihydroxyoctanoic acid
CID 90401423
6-hydroxy-2-methyloctan-3-one
CID 79429661
2-(5-hydroxyheptyl)hexanedioic acid
CID 134209805

Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxyhexanoic acid?
The IUPAC name of (4S)-4-hydroxyhexanoic acid (CID 14057564) is (4S)-4-hydroxyhexanoic acid.
What is the SMILES notation for (4S)-4-hydroxyhexanoic acid?
The canonical SMILES for (4S)-4-hydroxyhexanoic acid is CC[C@H](O)CCC(=O)O.
What is the InChIKey of (4S)-4-hydroxyhexanoic acid?
The InChIKey is ABIKNKURIGPIRJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12O3/c1-2-5(7)3-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (4S)-4-hydroxyhexanoic acid?
(4S)-4-hydroxyhexanoic acid has a molecular weight of 132.16 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxyhexanoic acid is sourced from PubChem (CID 14057564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).