4-hydroxybutanoic acid;4-oxobutanoic acid

C8H14O6 — CID 89310122

IUPAC4-hydroxybutanoic acid;4-oxobutanoic acid
SMILESO=C(O)CCCO.O=CCCC(=O)O
InChIInChI=1S/C4H8O3.C4H6O3/c2*5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7);3H,1-2H2,(H,6,7)
InChIKeyDTTPEYUOZWQBQG-UHFFFAOYSA-N
MW206.19 g/mol
LogP-0.11
Rot. Bonds6

About 4-hydroxybutanoic acid;4-oxobutanoic acid

4-hydroxybutanoic acid;4-oxobutanoic acid (PubChem CID 89310122) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is 4-hydroxybutanoic acid;4-oxobutanoic acid.

Molecular Properties

Compound Name4-hydroxybutanoic acid;4-oxobutanoic acid
PubChem CID89310122
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name4-hydroxybutanoic acid;4-oxobutanoic acid
SMILESO=C(O)CCCO.O=CCCC(=O)O
InChIInChI=1S/C4H8O3.C4H6O3/c2*5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7);3H,1-2H2,(H,6,7)
InChIKeyDTTPEYUOZWQBQG-UHFFFAOYSA-N
XLogP-0.11
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxybutanoic acid;iron
CID 175070991
4-hydroxybutanoic acid;yttrium
CID 58261226
9,12-dioxododecanoic acid
CID 5312888
butanedioic acid;butane-1,4-diol;decanedioic acid
CID 175347429
acetic acid;4-hydroxybutanoic acid
CID 173284712
5-hydroxypentanoic acid
CID 25945
(E)-10-oxodec-4-enoic acid
CID 6365679
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
31-hydroxyhentriacontanoic acid
CID 71339995
38-hydroxyoctatriacontanoic acid
CID 18981443
10-hydroxydecanoic acid
CID 138734563
hexane-1,6-diol;tetradecanedioic acid
CID 158984327

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutanoic acid;4-oxobutanoic acid?
The IUPAC name of 4-hydroxybutanoic acid;4-oxobutanoic acid (CID 89310122) is 4-hydroxybutanoic acid;4-oxobutanoic acid.
What is the SMILES notation for 4-hydroxybutanoic acid;4-oxobutanoic acid?
The canonical SMILES for 4-hydroxybutanoic acid;4-oxobutanoic acid is O=C(O)CCCO.O=CCCC(=O)O.
What is the InChIKey of 4-hydroxybutanoic acid;4-oxobutanoic acid?
The InChIKey is DTTPEYUOZWQBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C4H6O3/c2*5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7);3H,1-2H2,(H,6,7).
What are the key properties of 4-hydroxybutanoic acid;4-oxobutanoic acid?
4-hydroxybutanoic acid;4-oxobutanoic acid has a molecular weight of 206.19 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutanoic acid;4-oxobutanoic acid is sourced from PubChem (CID 89310122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).