2-butoxy-3-hydroxybutanoic acid

C8H16O4 — CID 57027353

IUPAC2-butoxy-3-hydroxybutanoic acid
SMILESCCCCOC(C(=O)O)C(C)O
InChIInChI=1S/C8H16O4/c1-3-4-5-12-7(6(2)9)8(10)11/h6-7,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyURVUJUNPVXCUIT-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.64
Rot. Bonds6

About 2-butoxy-3-hydroxybutanoic acid

2-butoxy-3-hydroxybutanoic acid (PubChem CID 57027353) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-butoxy-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-butoxy-3-hydroxybutanoic acid
PubChem CID57027353
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-butoxy-3-hydroxybutanoic acid
SMILESCCCCOC(C(=O)O)C(C)O
InChIInChI=1S/C8H16O4/c1-3-4-5-12-7(6(2)9)8(10)11/h6-7,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyURVUJUNPVXCUIT-UHFFFAOYSA-N
XLogP0.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-butoxy-3-methylbutanoic acid
CID 88938476
2-butoxy-3,5-dihydroxyhexanoic acid
CID 88610477
butyl 2-butoxy-3-hydroxybutanoate
CID 87978706
1,1,3,3-tetrabutoxypropan-2-one
CID 546234
2-butoxy-5-hydroxy-3-oxohexanoic acid
CID 88610478
(2S)-2-heptoxypropanoic acid
CID 22301798
4-(1-butoxyethoxy)-2-[2-(1-butoxyethoxy)ethyl]butanoic acid
CID 87513837
(2R,3R)-2,3-didodecoxy-4-hydrazinyl-4-oxobutanoic acid
CID 141133429
(2R,3R)-3-octoxybutan-2-ol
CID 54496266
2-acetyl-4,4-dibutoxy-3-oxobutanoic acid
CID 150375391
2-(3-methoxypropoxy)-3-methylbutanoic acid
CID 60918161
butyl (2R,3R)-3-hydroxy-2-methylbutanoate
CID 14360080

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-3-hydroxybutanoic acid?
The IUPAC name of 2-butoxy-3-hydroxybutanoic acid (CID 57027353) is 2-butoxy-3-hydroxybutanoic acid.
What is the SMILES notation for 2-butoxy-3-hydroxybutanoic acid?
The canonical SMILES for 2-butoxy-3-hydroxybutanoic acid is CCCCOC(C(=O)O)C(C)O.
What is the InChIKey of 2-butoxy-3-hydroxybutanoic acid?
The InChIKey is URVUJUNPVXCUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-3-4-5-12-7(6(2)9)8(10)11/h6-7,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-butoxy-3-hydroxybutanoic acid?
2-butoxy-3-hydroxybutanoic acid has a molecular weight of 176.21 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-3-hydroxybutanoic acid is sourced from PubChem (CID 57027353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).