2,5-dihydroxyhexanoic acid

C6H12O4 — CID 18424665

IUPAC2,5-dihydroxyhexanoic acid
SMILESCC(O)CCC(O)C(=O)O
InChIInChI=1S/C6H12O4/c1-4(7)2-3-5(8)6(9)10/h4-5,7-8H,2-3H2,1H3,(H,9,10)
InChIKeyQDKYRZRRXQKVJI-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.41
Rot. Bonds4

About 2,5-dihydroxyhexanoic acid

2,5-dihydroxyhexanoic acid (PubChem CID 18424665) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2,5-dihydroxyhexanoic acid.

Molecular Properties

Compound Name2,5-dihydroxyhexanoic acid
PubChem CID18424665
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name2,5-dihydroxyhexanoic acid
SMILESCC(O)CCC(O)C(=O)O
InChIInChI=1S/C6H12O4/c1-4(7)2-3-5(8)6(9)10/h4-5,7-8H,2-3H2,1H3,(H,9,10)
InChIKeyQDKYRZRRXQKVJI-UHFFFAOYSA-N
XLogP-0.41
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-2-methylhexanoic acid
CID 19873756
acetic acid;hexane-2,5-diol
CID 71365730
2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid
CID 174846249
2-hydroxy-17-methyloctadecanoic acid
CID 23427391
ethane;hexane-2,5-diol
CID 143963822
2-tert-butyl-5-hydroxyhexanoic acid
CID 22275994
4,7-dihydroxyoct-1-en-3-one
CID 174876046
(2R)-2-hydroxyhexanoic acid
CID 6995511
hexanedioic acid;hexane-2,5-diol
CID 160536258
2-hydroxyoctadecanoic acid;propane-1,2-diol
CID 87070694
2-hydroxyheptanoic acid
CID 2750949
carbonic acid;2-hydroxyhexanoic acid
CID 160541051

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxyhexanoic acid?
The IUPAC name of 2,5-dihydroxyhexanoic acid (CID 18424665) is 2,5-dihydroxyhexanoic acid.
What is the SMILES notation for 2,5-dihydroxyhexanoic acid?
The canonical SMILES for 2,5-dihydroxyhexanoic acid is CC(O)CCC(O)C(=O)O.
What is the InChIKey of 2,5-dihydroxyhexanoic acid?
The InChIKey is QDKYRZRRXQKVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-4(7)2-3-5(8)6(9)10/h4-5,7-8H,2-3H2,1H3,(H,9,10).
What are the key properties of 2,5-dihydroxyhexanoic acid?
2,5-dihydroxyhexanoic acid has a molecular weight of 148.16 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxyhexanoic acid is sourced from PubChem (CID 18424665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).