2-methoxy-2-methylbutanal

C6H12O2 — CID 18737045

IUPAC2-methoxy-2-methylbutanal
SMILESCCC(C)(C=O)OC
InChIInChI=1S/C6H12O2/c1-4-6(2,5-7)8-3/h5H,4H2,1-3H3
InChIKeyHDRQZRAXJBWYDE-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.00
Rot. Bonds3

About 2-methoxy-2-methylbutanal

2-methoxy-2-methylbutanal (PubChem CID 18737045) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-methoxy-2-methylbutanal.

Molecular Properties

Compound Name2-methoxy-2-methylbutanal
PubChem CID18737045
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-methoxy-2-methylbutanal
SMILESCCC(C)(C=O)OC
InChIInChI=1S/C6H12O2/c1-4-6(2,5-7)8-3/h5H,4H2,1-3H3
InChIKeyHDRQZRAXJBWYDE-UHFFFAOYSA-N
XLogP1.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxy-2-methylbutanal?
The IUPAC name of 2-methoxy-2-methylbutanal (CID 18737045) is 2-methoxy-2-methylbutanal.
What is the SMILES notation for 2-methoxy-2-methylbutanal?
The canonical SMILES for 2-methoxy-2-methylbutanal is CCC(C)(C=O)OC.
What is the InChIKey of 2-methoxy-2-methylbutanal?
The InChIKey is HDRQZRAXJBWYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-4-6(2,5-7)8-3/h5H,4H2,1-3H3.
What are the key properties of 2-methoxy-2-methylbutanal?
2-methoxy-2-methylbutanal has a molecular weight of 116.16 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylbutanal is sourced from PubChem (CID 18737045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).