trimethoxymethylcyclohexane

C10H20O3 — CID 6950209

IUPACtrimethoxymethylcyclohexane
SMILESCOC(OC)(OC)C1CCCCC1
InChIInChI=1S/C10H20O3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyKYIMTVQCHGXUAM-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.16
Rot. Bonds4

About trimethoxymethylcyclohexane

trimethoxymethylcyclohexane (PubChem CID 6950209) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is trimethoxymethylcyclohexane.

Molecular Properties

Compound Nametrimethoxymethylcyclohexane
PubChem CID6950209
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Nametrimethoxymethylcyclohexane
SMILESCOC(OC)(OC)C1CCCCC1
InChIInChI=1S/C10H20O3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyKYIMTVQCHGXUAM-UHFFFAOYSA-N
XLogP2.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethoxymethylcyclohexane 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 trimethoxymethylcyclohexane?
The IUPAC name of trimethoxymethylcyclohexane (CID 6950209) is trimethoxymethylcyclohexane.
What is the SMILES notation for trimethoxymethylcyclohexane?
The canonical SMILES for trimethoxymethylcyclohexane is COC(OC)(OC)C1CCCCC1.
What is the InChIKey of trimethoxymethylcyclohexane?
The InChIKey is KYIMTVQCHGXUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3.
What are the key properties of trimethoxymethylcyclohexane?
trimethoxymethylcyclohexane has a molecular weight of 188.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxymethylcyclohexane is sourced from PubChem (CID 6950209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).