2-hydroxy-3-methoxy-2-methylbutanal

C6H12O3 — CID 18716412

IUPAC2-hydroxy-3-methoxy-2-methylbutanal
SMILESCOC(C)C(C)(O)C=O
InChIInChI=1S/C6H12O3/c1-5(9-3)6(2,8)4-7/h4-5,8H,1-3H3
InChIKeyJKUHFVLHWYMTCS-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.03
Rot. Bonds3

About 2-hydroxy-3-methoxy-2-methylbutanal

2-hydroxy-3-methoxy-2-methylbutanal (PubChem CID 18716412) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-2-methylbutanal.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-2-methylbutanal
PubChem CID18716412
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-hydroxy-3-methoxy-2-methylbutanal
SMILESCOC(C)C(C)(O)C=O
InChIInChI=1S/C6H12O3/c1-5(9-3)6(2,8)4-7/h4-5,8H,1-3H3
InChIKeyJKUHFVLHWYMTCS-UHFFFAOYSA-N
XLogP-0.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydroxy-2-methylbutan-1-one
CID 20387368
3-Ethoxy-2-hydroxybutyraldehyde
CID 88226571
Diketopinacol
CID 129653413
(3-Hydroxy-3-methyl-4-oxobutan-2-yl) acetate
CID 20387366
2-Hydroxy-2-(hydroxymethyl)butanal
CID 53806072
3-Hydroxy-2-methoxybutanal
CID 57236595
2,3-Dihydroxy-3-methylbutanal
CID 71391745
3-Hydroxy-4-methoxy-3-methylbutanal
CID 79576986
2-Hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal
CID 87971342
(2S)-3-hydroxy-2-methoxybutanal
CID 88891504
2-Hydroxy-3-(1-hydroxypropan-2-yloxy)butanal
CID 89297639
2-Hydroxy-2-(methoxymethyl)butanedial
CID 89658027

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-2-methylbutanal?
The IUPAC name of 2-hydroxy-3-methoxy-2-methylbutanal (CID 18716412) is 2-hydroxy-3-methoxy-2-methylbutanal.
What is the SMILES notation for 2-hydroxy-3-methoxy-2-methylbutanal?
The canonical SMILES for 2-hydroxy-3-methoxy-2-methylbutanal is COC(C)C(C)(O)C=O.
What is the InChIKey of 2-hydroxy-3-methoxy-2-methylbutanal?
The InChIKey is JKUHFVLHWYMTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-5(9-3)6(2,8)4-7/h4-5,8H,1-3H3.
What are the key properties of 2-hydroxy-3-methoxy-2-methylbutanal?
2-hydroxy-3-methoxy-2-methylbutanal has a molecular weight of 132.16 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-2-methylbutanal is sourced from PubChem (CID 18716412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).