5-hydroxypentanoic acid

C5H10O3 — CID 25945

IUPAC5-hydroxypentanoic acid
SMILESO=C(O)CCCCO
InChIInChI=1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8)
InChIKeyPHOJOSOUIAQEDH-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.23
Rot. Bonds4

About 5-hydroxypentanoic acid

5-hydroxypentanoic acid (PubChem CID 25945) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 5-hydroxypentanoic acid.

Molecular Properties

Compound Name5-hydroxypentanoic acid
PubChem CID25945
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name5-hydroxypentanoic acid
SMILESO=C(O)CCCCO
InChIInChI=1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8)
InChIKeyPHOJOSOUIAQEDH-UHFFFAOYSA-N
XLogP0.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.23
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

10-hydroxydecanoic acid
CID 138734563
38-hydroxyoctatriacontanoic acid
CID 18981443
31-hydroxyhentriacontanoic acid
CID 71339995
hexane-1,6-diol;tetradecanedioic acid
CID 158984327
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
butanedioic acid;butane-1,4-diol;decanedioic acid
CID 175347429
12-hydroxydodecanoic acid;zinc
CID 88673734
lithium;hydride;5-hydroxypentanoic acid
CID 173343870
CID 162333795
CID 162333795
ethane-1,2-diol;hexanedioic acid;hexane-1,6-diol
CID 174881937
ethane;6-hydroxyhexanoic acid
CID 87459132
15-hydroxy-6-oxopentadecanoic acid
CID 154126593

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentanoic acid?
The IUPAC name of 5-hydroxypentanoic acid (CID 25945) is 5-hydroxypentanoic acid.
What is the SMILES notation for 5-hydroxypentanoic acid?
The canonical SMILES for 5-hydroxypentanoic acid is O=C(O)CCCCO.
What is the InChIKey of 5-hydroxypentanoic acid?
The InChIKey is PHOJOSOUIAQEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8).
What are the key properties of 5-hydroxypentanoic acid?
5-hydroxypentanoic acid has a molecular weight of 118.13 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentanoic acid is sourced from PubChem (CID 25945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).