2-(2-acetyl-1-methylcyclobutyl)acetaldehyde

C9H14O2 — CID 130035364

IUPAC2-(2-acetyl-1-methylcyclobutyl)acetaldehyde
SMILESCC(=O)C1CCC1(C)CC=O
InChIInChI=1S/C9H14O2/c1-7(11)8-3-4-9(8,2)5-6-10/h6,8H,3-5H2,1-2H3
InChIKeyKXHFYKRXYSYDKR-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.58
Rot. Bonds3

About 2-(2-acetyl-1-methylcyclobutyl)acetaldehyde

2-(2-acetyl-1-methylcyclobutyl)acetaldehyde (PubChem CID 130035364) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(2-acetyl-1-methylcyclobutyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-acetyl-1-methylcyclobutyl)acetaldehyde
PubChem CID130035364
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-(2-acetyl-1-methylcyclobutyl)acetaldehyde
SMILESCC(=O)C1CCC1(C)CC=O
InChIInChI=1S/C9H14O2/c1-7(11)8-3-4-9(8,2)5-6-10/h6,8H,3-5H2,1-2H3
InChIKeyKXHFYKRXYSYDKR-UHFFFAOYSA-N
XLogP1.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.58
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-(2-acetyl-1-methylcyclobutyl)acetaldehyde?
The IUPAC name of 2-(2-acetyl-1-methylcyclobutyl)acetaldehyde (CID 130035364) is 2-(2-acetyl-1-methylcyclobutyl)acetaldehyde.
What is the SMILES notation for 2-(2-acetyl-1-methylcyclobutyl)acetaldehyde?
The canonical SMILES for 2-(2-acetyl-1-methylcyclobutyl)acetaldehyde is CC(=O)C1CCC1(C)CC=O.
What is the InChIKey of 2-(2-acetyl-1-methylcyclobutyl)acetaldehyde?
The InChIKey is KXHFYKRXYSYDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7(11)8-3-4-9(8,2)5-6-10/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-(2-acetyl-1-methylcyclobutyl)acetaldehyde?
2-(2-acetyl-1-methylcyclobutyl)acetaldehyde has a molecular weight of 154.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1-methylcyclobutyl)acetaldehyde is sourced from PubChem (CID 130035364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).