2-cyclopentyl-2-methylpropanal

C9H16O — CID 57449959

IUPAC2-cyclopentyl-2-methylpropanal
SMILESCC(C)(C=O)C1CCCC1
InChIInChI=1S/C9H16O/c1-9(2,7-10)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKeyGAEDQTPUGBNHBU-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.40
Rot. Bonds2

About 2-cyclopentyl-2-methylpropanal

2-cyclopentyl-2-methylpropanal (PubChem CID 57449959) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-cyclopentyl-2-methylpropanal.

Molecular Properties

Compound Name2-cyclopentyl-2-methylpropanal
PubChem CID57449959
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-cyclopentyl-2-methylpropanal
SMILESCC(C)(C=O)C1CCCC1
InChIInChI=1S/C9H16O/c1-9(2,7-10)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKeyGAEDQTPUGBNHBU-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cyclopentyl-2-methylpropanal 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-cyclopentyl-2-methylpropanal?
The IUPAC name of 2-cyclopentyl-2-methylpropanal (CID 57449959) is 2-cyclopentyl-2-methylpropanal.
What is the SMILES notation for 2-cyclopentyl-2-methylpropanal?
The canonical SMILES for 2-cyclopentyl-2-methylpropanal is CC(C)(C=O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-methylpropanal?
The InChIKey is GAEDQTPUGBNHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2,7-10)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-cyclopentyl-2-methylpropanal?
2-cyclopentyl-2-methylpropanal has a molecular weight of 140.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-methylpropanal is sourced from PubChem (CID 57449959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).