2-(1-trimethylstannylcyclohexyl)acetaldehyde

C11H22OSn — CID 14201354

IUPAC2-(1-trimethylstannylcyclohexyl)acetaldehyde
SMILESC[Sn](C)(C)C1(CC=O)CCCCC1
InChIInChI=1S/C8H13O.3CH3.Sn/c9-7-6-8-4-2-1-3-5-8;;;;/h7H,1-6H2;3*1H3;
InChIKeyQZZDFCXJRVMERE-UHFFFAOYSA-N
MW289.01 g/mol
LogP3.62
Rot. Bonds3

About 2-(1-trimethylstannylcyclohexyl)acetaldehyde

2-(1-trimethylstannylcyclohexyl)acetaldehyde (PubChem CID 14201354) has the molecular formula C11H22OSn and a molecular weight of 289.01 g/mol. Its IUPAC name is 2-(1-trimethylstannylcyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2-(1-trimethylstannylcyclohexyl)acetaldehyde
PubChem CID14201354
Molecular FormulaC11H22OSn
Molecular Weight289.01 g/mol
Exact Mass290.07
IUPAC Name2-(1-trimethylstannylcyclohexyl)acetaldehyde
SMILESC[Sn](C)(C)C1(CC=O)CCCCC1
InChIInChI=1S/C8H13O.3CH3.Sn/c9-7-6-8-4-2-1-3-5-8;;;;/h7H,1-6H2;3*1H3;
InChIKeyQZZDFCXJRVMERE-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.01
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1-trimethylstannylcyclohexyl)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-trimethylstannylcyclohexyl)acetaldehyde?
The IUPAC name of 2-(1-trimethylstannylcyclohexyl)acetaldehyde (CID 14201354) is 2-(1-trimethylstannylcyclohexyl)acetaldehyde.
What is the SMILES notation for 2-(1-trimethylstannylcyclohexyl)acetaldehyde?
The canonical SMILES for 2-(1-trimethylstannylcyclohexyl)acetaldehyde is C[Sn](C)(C)C1(CC=O)CCCCC1.
What is the InChIKey of 2-(1-trimethylstannylcyclohexyl)acetaldehyde?
The InChIKey is QZZDFCXJRVMERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O.3CH3.Sn/c9-7-6-8-4-2-1-3-5-8;;;;/h7H,1-6H2;3*1H3;.
What are the key properties of 2-(1-trimethylstannylcyclohexyl)acetaldehyde?
2-(1-trimethylstannylcyclohexyl)acetaldehyde has a molecular weight of 289.01 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-trimethylstannylcyclohexyl)acetaldehyde is sourced from PubChem (CID 14201354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).