2-(methoxymethyl)-2-methylbutanal

C7H14O2 — CID 131050465

IUPAC2-(methoxymethyl)-2-methylbutanal
SMILESCCC(C)(C=O)COC
InChIInChI=1S/C7H14O2/c1-4-7(2,5-8)6-9-3/h5H,4,6H2,1-3H3
InChIKeyCKGFNOICOMMDGJ-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.25
Rot. Bonds4

About 2-(methoxymethyl)-2-methylbutanal

2-(methoxymethyl)-2-methylbutanal (PubChem CID 131050465) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-methylbutanal.

Molecular Properties

Compound Name2-(methoxymethyl)-2-methylbutanal
PubChem CID131050465
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-(methoxymethyl)-2-methylbutanal
SMILESCCC(C)(C=O)COC
InChIInChI=1S/C7H14O2/c1-4-7(2,5-8)6-9-3/h5H,4,6H2,1-3H3
InChIKeyCKGFNOICOMMDGJ-UHFFFAOYSA-N
XLogP1.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.25
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-(methoxymethyl)-2-methylbutanal?
The IUPAC name of 2-(methoxymethyl)-2-methylbutanal (CID 131050465) is 2-(methoxymethyl)-2-methylbutanal.
What is the SMILES notation for 2-(methoxymethyl)-2-methylbutanal?
The canonical SMILES for 2-(methoxymethyl)-2-methylbutanal is CCC(C)(C=O)COC.
What is the InChIKey of 2-(methoxymethyl)-2-methylbutanal?
The InChIKey is CKGFNOICOMMDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-7(2,5-8)6-9-3/h5H,4,6H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-2-methylbutanal?
2-(methoxymethyl)-2-methylbutanal has a molecular weight of 130.19 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-methylbutanal is sourced from PubChem (CID 131050465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).