1,3,5-trimethoxycyclohexane

C9H18O3 — CID 547415

IUPAC1,3,5-trimethoxycyclohexane
SMILESCOC1CC(OC)CC(OC)C1
InChIInChI=1S/C9H18O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h7-9H,4-6H2,1-3H3
InChIKeyCMTFGBBHAMJMME-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.22
Rot. Bonds3

About 1,3,5-trimethoxycyclohexane

1,3,5-trimethoxycyclohexane (PubChem CID 547415) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1,3,5-trimethoxycyclohexane.

Molecular Properties

Compound Name1,3,5-trimethoxycyclohexane
PubChem CID547415
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name1,3,5-trimethoxycyclohexane
SMILESCOC1CC(OC)CC(OC)C1
InChIInChI=1S/C9H18O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h7-9H,4-6H2,1-3H3
InChIKeyCMTFGBBHAMJMME-UHFFFAOYSA-N
XLogP1.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3,5-trimethoxycyclohexane 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 1,3,5-trimethoxycyclohexane?
The IUPAC name of 1,3,5-trimethoxycyclohexane (CID 547415) is 1,3,5-trimethoxycyclohexane.
What is the SMILES notation for 1,3,5-trimethoxycyclohexane?
The canonical SMILES for 1,3,5-trimethoxycyclohexane is COC1CC(OC)CC(OC)C1.
What is the InChIKey of 1,3,5-trimethoxycyclohexane?
The InChIKey is CMTFGBBHAMJMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1,3,5-trimethoxycyclohexane?
1,3,5-trimethoxycyclohexane has a molecular weight of 174.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethoxycyclohexane is sourced from PubChem (CID 547415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).