1-(methoxymethyl)cyclobutane-1-carbaldehyde

C7H12O2 — CID 122163663

IUPAC1-(methoxymethyl)cyclobutane-1-carbaldehyde
SMILESCOCC1(C=O)CCC1
InChIInChI=1S/C7H12O2/c1-9-6-7(5-8)3-2-4-7/h5H,2-4,6H2,1H3
InChIKeyWLIWPQWVHIEUQL-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.00
Rot. Bonds3

About 1-(methoxymethyl)cyclobutane-1-carbaldehyde

1-(methoxymethyl)cyclobutane-1-carbaldehyde (PubChem CID 122163663) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-(methoxymethyl)cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name1-(methoxymethyl)cyclobutane-1-carbaldehyde
PubChem CID122163663
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name1-(methoxymethyl)cyclobutane-1-carbaldehyde
SMILESCOCC1(C=O)CCC1
InChIInChI=1S/C7H12O2/c1-9-6-7(5-8)3-2-4-7/h5H,2-4,6H2,1H3
InChIKeyWLIWPQWVHIEUQL-UHFFFAOYSA-N
XLogP1.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
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 1-(methoxymethyl)cyclobutane-1-carbaldehyde?
The IUPAC name of 1-(methoxymethyl)cyclobutane-1-carbaldehyde (CID 122163663) is 1-(methoxymethyl)cyclobutane-1-carbaldehyde.
What is the SMILES notation for 1-(methoxymethyl)cyclobutane-1-carbaldehyde?
The canonical SMILES for 1-(methoxymethyl)cyclobutane-1-carbaldehyde is COCC1(C=O)CCC1.
What is the InChIKey of 1-(methoxymethyl)cyclobutane-1-carbaldehyde?
The InChIKey is WLIWPQWVHIEUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-9-6-7(5-8)3-2-4-7/h5H,2-4,6H2,1H3.
What are the key properties of 1-(methoxymethyl)cyclobutane-1-carbaldehyde?
1-(methoxymethyl)cyclobutane-1-carbaldehyde has a molecular weight of 128.17 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 1-(methoxymethyl)cyclobutane-1-carbaldehyde is sourced from PubChem (CID 122163663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).