2-(hydroxymethyl)-3-methoxy-2-methylpropanal

C6H12O3 — CID 3020309

IUPAC2-(hydroxymethyl)-3-methoxy-2-methylpropanal
SMILESCOCC(C)(C=O)CO
InChIInChI=1S/C6H12O3/c1-6(3-7,4-8)5-9-2/h3,8H,4-5H2,1-2H3
InChIKeyIGLBINVHKGTFGH-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.17
Rot. Bonds4

About 2-(hydroxymethyl)-3-methoxy-2-methylpropanal

2-(hydroxymethyl)-3-methoxy-2-methylpropanal (PubChem CID 3020309) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-methoxy-2-methylpropanal.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-methoxy-2-methylpropanal
PubChem CID3020309
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-(hydroxymethyl)-3-methoxy-2-methylpropanal
SMILESCOCC(C)(C=O)CO
InChIInChI=1S/C6H12O3/c1-6(3-7,4-8)5-9-2/h3,8H,4-5H2,1-2H3
InChIKeyIGLBINVHKGTFGH-UHFFFAOYSA-N
XLogP-0.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-methoxy-2-methylpropanal?
The IUPAC name of 2-(hydroxymethyl)-3-methoxy-2-methylpropanal (CID 3020309) is 2-(hydroxymethyl)-3-methoxy-2-methylpropanal.
What is the SMILES notation for 2-(hydroxymethyl)-3-methoxy-2-methylpropanal?
The canonical SMILES for 2-(hydroxymethyl)-3-methoxy-2-methylpropanal is COCC(C)(C=O)CO.
What is the InChIKey of 2-(hydroxymethyl)-3-methoxy-2-methylpropanal?
The InChIKey is IGLBINVHKGTFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-6(3-7,4-8)5-9-2/h3,8H,4-5H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-3-methoxy-2-methylpropanal?
2-(hydroxymethyl)-3-methoxy-2-methylpropanal has a molecular weight of 132.16 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-methoxy-2-methylpropanal is sourced from PubChem (CID 3020309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).