1,3,5-tris(ethoxymethyl)cyclohexane

C15H30O3 — CID 90100152

IUPAC1,3,5-tris(ethoxymethyl)cyclohexane
SMILESCCOCC1CC(COCC)CC(COCC)C1
InChIInChI=1S/C15H30O3/c1-4-16-10-13-7-14(11-17-5-2)9-15(8-13)12-18-6-3/h13-15H,4-12H2,1-3H3
InChIKeyRMMDKBKAKWMMMQ-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.13
Rot. Bonds9

About 1,3,5-tris(ethoxymethyl)cyclohexane

1,3,5-tris(ethoxymethyl)cyclohexane (PubChem CID 90100152) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 1,3,5-tris(ethoxymethyl)cyclohexane.

Molecular Properties

Compound Name1,3,5-tris(ethoxymethyl)cyclohexane
PubChem CID90100152
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name1,3,5-tris(ethoxymethyl)cyclohexane
SMILESCCOCC1CC(COCC)CC(COCC)C1
InChIInChI=1S/C15H30O3/c1-4-16-10-13-7-14(11-17-5-2)9-15(8-13)12-18-6-3/h13-15H,4-12H2,1-3H3
InChIKeyRMMDKBKAKWMMMQ-UHFFFAOYSA-N
XLogP3.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(ethoxymethyl)cyclohexane?
The IUPAC name of 1,3,5-tris(ethoxymethyl)cyclohexane (CID 90100152) is 1,3,5-tris(ethoxymethyl)cyclohexane.
What is the SMILES notation for 1,3,5-tris(ethoxymethyl)cyclohexane?
The canonical SMILES for 1,3,5-tris(ethoxymethyl)cyclohexane is CCOCC1CC(COCC)CC(COCC)C1.
What is the InChIKey of 1,3,5-tris(ethoxymethyl)cyclohexane?
The InChIKey is RMMDKBKAKWMMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-4-16-10-13-7-14(11-17-5-2)9-15(8-13)12-18-6-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 1,3,5-tris(ethoxymethyl)cyclohexane?
1,3,5-tris(ethoxymethyl)cyclohexane has a molecular weight of 258.40 g/mol, XLogP of 3.13, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(ethoxymethyl)cyclohexane is sourced from PubChem (CID 90100152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).