1-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde

C10H18O2 — CID 126997189

IUPAC1-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde
SMILESCOC1(C=O)CC(C)CC(C)C1
InChIInChI=1S/C10H18O2/c1-8-4-9(2)6-10(5-8,7-11)12-3/h7-9H,4-6H2,1-3H3
InChIKeyANFWOIFXPZFMML-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.03
Rot. Bonds2

About 1-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde

1-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde (PubChem CID 126997189) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde
PubChem CID126997189
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde
SMILESCOC1(C=O)CC(C)CC(C)C1
InChIInChI=1S/C10H18O2/c1-8-4-9(2)6-10(5-8,7-11)12-3/h7-9H,4-6H2,1-3H3
InChIKeyANFWOIFXPZFMML-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxy-3,5-dimethylcyclohexane-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-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde?
The IUPAC name of 1-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde (CID 126997189) is 1-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde?
The canonical SMILES for 1-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde is COC1(C=O)CC(C)CC(C)C1.
What is the InChIKey of 1-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde?
The InChIKey is ANFWOIFXPZFMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-4-9(2)6-10(5-8,7-11)12-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde?
1-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde has a molecular weight of 170.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 126997189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).