1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde

C13H24O2 — CID 164659254

IUPAC1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde
SMILESCOCC1(C=O)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C13H24O2/c1-11(2)6-12(3,4)8-13(7-11,9-14)10-15-5/h9H,6-8,10H2,1-5H3
InChIKeyUZFUBIOGJOWTQM-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.05
Rot. Bonds3

About 1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde

1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde (PubChem CID 164659254) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde
PubChem CID164659254
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde
SMILESCOCC1(C=O)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C13H24O2/c1-11(2)6-12(3,4)8-13(7-11,9-14)10-15-5/h9H,6-8,10H2,1-5H3
InChIKeyUZFUBIOGJOWTQM-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-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 1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde?
The IUPAC name of 1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde (CID 164659254) is 1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde?
The canonical SMILES for 1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde is COCC1(C=O)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde?
The InChIKey is UZFUBIOGJOWTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-11(2)6-12(3,4)8-13(7-11,9-14)10-15-5/h9H,6-8,10H2,1-5H3.
What are the key properties of 1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde?
1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde has a molecular weight of 212.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 164659254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).