2-(1-ethylcyclobutyl)acetaldehyde

C8H14O — CID 130601222

IUPAC2-(1-ethylcyclobutyl)acetaldehyde
SMILESCCC1(CC=O)CCC1
InChIInChI=1S/C8H14O/c1-2-8(6-7-9)4-3-5-8/h7H,2-6H2,1H3
InChIKeyQLYVEJSNFSUZJT-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.16
Rot. Bonds3

About 2-(1-ethylcyclobutyl)acetaldehyde

2-(1-ethylcyclobutyl)acetaldehyde (PubChem CID 130601222) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-(1-ethylcyclobutyl)acetaldehyde.

Molecular Properties

Compound Name2-(1-ethylcyclobutyl)acetaldehyde
PubChem CID130601222
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-(1-ethylcyclobutyl)acetaldehyde
SMILESCCC1(CC=O)CCC1
InChIInChI=1S/C8H14O/c1-2-8(6-7-9)4-3-5-8/h7H,2-6H2,1H3
InChIKeyQLYVEJSNFSUZJT-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1-ethylcyclobutyl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylcyclobutyl)acetaldehyde?
The IUPAC name of 2-(1-ethylcyclobutyl)acetaldehyde (CID 130601222) is 2-(1-ethylcyclobutyl)acetaldehyde.
What is the SMILES notation for 2-(1-ethylcyclobutyl)acetaldehyde?
The canonical SMILES for 2-(1-ethylcyclobutyl)acetaldehyde is CCC1(CC=O)CCC1.
What is the InChIKey of 2-(1-ethylcyclobutyl)acetaldehyde?
The InChIKey is QLYVEJSNFSUZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-8(6-7-9)4-3-5-8/h7H,2-6H2,1H3.
What are the key properties of 2-(1-ethylcyclobutyl)acetaldehyde?
2-(1-ethylcyclobutyl)acetaldehyde has a molecular weight of 126.20 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclobutyl)acetaldehyde is sourced from PubChem (CID 130601222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).