5,5-dihydroxypentanoic acid

C5H10O4 — CID 57194054

IUPAC5,5-dihydroxypentanoic acid
SMILESO=C(O)CCCC(O)O
InChIInChI=1S/C5H10O4/c6-4(7)2-1-3-5(8)9/h4,6-7H,1-3H2,(H,8,9)
InChIKeyLMVYYKVYJJLTES-UHFFFAOYSA-N
MW134.13 g/mol
LogP-0.45
Rot. Bonds4

About 5,5-dihydroxypentanoic acid

5,5-dihydroxypentanoic acid (PubChem CID 57194054) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is 5,5-dihydroxypentanoic acid.

Molecular Properties

Compound Name5,5-dihydroxypentanoic acid
PubChem CID57194054
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name5,5-dihydroxypentanoic acid
SMILESO=C(O)CCCC(O)O
InChIInChI=1S/C5H10O4/c6-4(7)2-1-3-5(8)9/h4,6-7H,1-3H2,(H,8,9)
InChIKeyLMVYYKVYJJLTES-UHFFFAOYSA-N
XLogP-0.45
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

dodecane-1,1-diol;hexanedioic acid
CID 160695318
hexane-1,1-diol;tetradecanedioic acid
CID 175798727
decanedioic acid;tetradecane-1,1-diol
CID 175902897
dodecane-1,1-diol;bis(dodecanoic acid)
CID 121388000
hexanedioic acid;hexane-1,1,5,6-tetrol
CID 19990329
(3S)-3-hydroxyheptanedioic acid
CID 87737490
5,6-dihydroxyhexanoic acid
CID 15140307
(5S)-5,6-dihydroxyhexanoic acid
CID 88918822
5-hydroxytridecanedioic acid
CID 139805426
5-hydroxy-6-methylhept-6-enoic acid
CID 22417308
bis(hexanedioic acid);propane-1,1-diol
CID 157289592
5,5-dibromopentanoic acid
CID 54289064

Frequently Asked Questions

What is the IUPAC name of 5,5-dihydroxypentanoic acid?
The IUPAC name of 5,5-dihydroxypentanoic acid (CID 57194054) is 5,5-dihydroxypentanoic acid.
What is the SMILES notation for 5,5-dihydroxypentanoic acid?
The canonical SMILES for 5,5-dihydroxypentanoic acid is O=C(O)CCCC(O)O.
What is the InChIKey of 5,5-dihydroxypentanoic acid?
The InChIKey is LMVYYKVYJJLTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c6-4(7)2-1-3-5(8)9/h4,6-7H,1-3H2,(H,8,9).
What are the key properties of 5,5-dihydroxypentanoic acid?
5,5-dihydroxypentanoic acid has a molecular weight of 134.13 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dihydroxypentanoic acid is sourced from PubChem (CID 57194054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).