2-ethyl-2-methylcyclopropane-1-carbaldehyde

C7H12O — CID 54353190

IUPAC2-ethyl-2-methylcyclopropane-1-carbaldehyde
SMILESCCC1(C)CC1C=O
InChIInChI=1S/C7H12O/c1-3-7(2)4-6(7)5-8/h5-6H,3-4H2,1-2H3
InChIKeyICMZHRBYUIEXAH-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.62
Rot. Bonds2

About 2-ethyl-2-methylcyclopropane-1-carbaldehyde

2-ethyl-2-methylcyclopropane-1-carbaldehyde (PubChem CID 54353190) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-ethyl-2-methylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-2-methylcyclopropane-1-carbaldehyde
PubChem CID54353190
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-ethyl-2-methylcyclopropane-1-carbaldehyde
SMILESCCC1(C)CC1C=O
InChIInChI=1S/C7H12O/c1-3-7(2)4-6(7)5-8/h5-6H,3-4H2,1-2H3
InChIKeyICMZHRBYUIEXAH-UHFFFAOYSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-methylcyclopropane-1-carbaldehyde 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-ethyl-2-methylcyclopropane-1-carbaldehyde?
The IUPAC name of 2-ethyl-2-methylcyclopropane-1-carbaldehyde (CID 54353190) is 2-ethyl-2-methylcyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-ethyl-2-methylcyclopropane-1-carbaldehyde?
The canonical SMILES for 2-ethyl-2-methylcyclopropane-1-carbaldehyde is CCC1(C)CC1C=O.
What is the InChIKey of 2-ethyl-2-methylcyclopropane-1-carbaldehyde?
The InChIKey is ICMZHRBYUIEXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-3-7(2)4-6(7)5-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-2-methylcyclopropane-1-carbaldehyde?
2-ethyl-2-methylcyclopropane-1-carbaldehyde has a molecular weight of 112.17 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 54353190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).