3,3-dimethoxypropylcyclohexane

C11H22O2 — CID 10631424

IUPAC3,3-dimethoxypropylcyclohexane
SMILESCOC(CCC1CCCCC1)OC
InChIInChI=1S/C11H22O2/c1-12-11(13-2)9-8-10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3
InChIKeyNLEYKCFRARTCNA-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.97
Rot. Bonds5

About 3,3-dimethoxypropylcyclohexane

3,3-dimethoxypropylcyclohexane (PubChem CID 10631424) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3,3-dimethoxypropylcyclohexane.

Molecular Properties

Compound Name3,3-dimethoxypropylcyclohexane
PubChem CID10631424
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3,3-dimethoxypropylcyclohexane
SMILESCOC(CCC1CCCCC1)OC
InChIInChI=1S/C11H22O2/c1-12-11(13-2)9-8-10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3
InChIKeyNLEYKCFRARTCNA-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,3-dimethoxypropylcyclohexane 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 3,3-dimethoxypropylcyclohexane?
The IUPAC name of 3,3-dimethoxypropylcyclohexane (CID 10631424) is 3,3-dimethoxypropylcyclohexane.
What is the SMILES notation for 3,3-dimethoxypropylcyclohexane?
The canonical SMILES for 3,3-dimethoxypropylcyclohexane is COC(CCC1CCCCC1)OC.
What is the InChIKey of 3,3-dimethoxypropylcyclohexane?
The InChIKey is NLEYKCFRARTCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-12-11(13-2)9-8-10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 3,3-dimethoxypropylcyclohexane?
3,3-dimethoxypropylcyclohexane has a molecular weight of 186.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxypropylcyclohexane is sourced from PubChem (CID 10631424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).