(3S)-3-hydroxyhexanoic acid

C6H12O3 — CID 11829482

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

About (3S)-3-hydroxyhexanoic acid

(3S)-3-hydroxyhexanoic acid (PubChem CID 11829482) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (3S)-3-hydroxyhexanoic acid.

Molecular Properties

Compound Name(3S)-3-hydroxyhexanoic acid
PubChem CID11829482
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(3S)-3-hydroxyhexanoic acid
SMILESCCC[C@H](O)CC(=O)O
InChIInChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyHPMGFDVTYHWBAG-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

(3S)-3-hydroxyoctanoic acid
CID 11367166
(R)-3-hydroxytetradecanoic acid
CID 5288266
(+-)-3-Hydroxydodecanoic acid
CID 94216
3-Hydroxyvaleric acid
CID 107802
3-Hydroxydecanoic acid, (3S)-
CID 5312799
Ethyl 3-hydroxyhexanoate
CID 61293
Methyl 3-hydroxyhexanoate
CID 519845
3-Hydroxydecanoic acid
CID 26612
(3R)-3-Hydroxydodecanoic acid
CID 5312804
(+-)-3-Hydroxytetradecanoic acid
CID 16064
3-Hydroxyoctanoic acid
CID 26613
3-Hydroxyadipic acid
CID 151913

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxyhexanoic acid?
The IUPAC name of (3S)-3-hydroxyhexanoic acid (CID 11829482) is (3S)-3-hydroxyhexanoic acid.
What is the SMILES notation for (3S)-3-hydroxyhexanoic acid?
The canonical SMILES for (3S)-3-hydroxyhexanoic acid is CCC[C@H](O)CC(=O)O.
What is the InChIKey of (3S)-3-hydroxyhexanoic acid?
The InChIKey is HPMGFDVTYHWBAG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (3S)-3-hydroxyhexanoic acid?
(3S)-3-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 (3S)-3-hydroxyhexanoic acid is sourced from PubChem (CID 11829482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).