6-hydroxyhexanoic acid

C6H12O3 — CID 14490

IUPAC6-hydroxyhexanoic acid
SMILESO=C(O)CCCCCO
InChIInChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9)
InChIKeyIWHLYPDWHHPVAA-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.62
Rot. Bonds5

About 6-hydroxyhexanoic acid

6-hydroxyhexanoic acid (PubChem CID 14490) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 6-hydroxyhexanoic acid.

Molecular Properties

Compound Name6-hydroxyhexanoic acid
PubChem CID14490
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name6-hydroxyhexanoic acid
SMILESO=C(O)CCCCCO
InChIInChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9)
InChIKeyIWHLYPDWHHPVAA-UHFFFAOYSA-N
XLogP0.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

Adipic Acid
CID 196
Hexanoic Acid
CID 8892
5-Hydroxypentanoic acid
CID 25945
monoMethyl adipate
CID 12328
6-Oxohexanoic acid
CID 440918
Ethyl 6-hydroxyhexanoate
CID 357781
7-Hydroxyheptanoic acid
CID 138016
Hexanal, 6-hydroxy-
CID 190319
Hexanoic acid, 6-hydroxy-, methyl ester
CID 3083855
Hexanedioic acid, potassium salt (1:?)
CID 23682960
6-Fluorohexanoic acid
CID 9736
Hexanedioic acid, sodium salt (1:)
CID 87066922

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyhexanoic acid?
The IUPAC name of 6-hydroxyhexanoic acid (CID 14490) is 6-hydroxyhexanoic acid.
What is the SMILES notation for 6-hydroxyhexanoic acid?
The canonical SMILES for 6-hydroxyhexanoic acid is O=C(O)CCCCCO.
What is the InChIKey of 6-hydroxyhexanoic acid?
The InChIKey is IWHLYPDWHHPVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9).
What are the key properties of 6-hydroxyhexanoic acid?
6-hydroxyhexanoic acid has a molecular weight of 132.16 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyhexanoic acid is sourced from PubChem (CID 14490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).