4-(ethoxymethyl)-1-ethylazepan-4-ol

C11H23NO2 — CID 79568100

IUPAC4-(ethoxymethyl)-1-ethylazepan-4-ol
SMILESCCOCC1(O)CCCN(CC)CC1
InChIInChI=1S/C11H23NO2/c1-3-12-8-5-6-11(13,7-9-12)10-14-4-2/h13H,3-10H2,1-2H3
InChIKeyWOPIMMDDXSJCDE-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.26
Rot. Bonds4

About 4-(ethoxymethyl)-1-ethylazepan-4-ol

4-(ethoxymethyl)-1-ethylazepan-4-ol (PubChem CID 79568100) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1-ethylazepan-4-ol.

Molecular Properties

Compound Name4-(ethoxymethyl)-1-ethylazepan-4-ol
PubChem CID79568100
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-(ethoxymethyl)-1-ethylazepan-4-ol
SMILESCCOCC1(O)CCCN(CC)CC1
InChIInChI=1S/C11H23NO2/c1-3-12-8-5-6-11(13,7-9-12)10-14-4-2/h13H,3-10H2,1-2H3
InChIKeyWOPIMMDDXSJCDE-UHFFFAOYSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(ethoxymethyl)-1-ethylazepan-4-ol 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 4-(ethoxymethyl)-1-ethylazepan-4-ol?
The IUPAC name of 4-(ethoxymethyl)-1-ethylazepan-4-ol (CID 79568100) is 4-(ethoxymethyl)-1-ethylazepan-4-ol.
What is the SMILES notation for 4-(ethoxymethyl)-1-ethylazepan-4-ol?
The canonical SMILES for 4-(ethoxymethyl)-1-ethylazepan-4-ol is CCOCC1(O)CCCN(CC)CC1.
What is the InChIKey of 4-(ethoxymethyl)-1-ethylazepan-4-ol?
The InChIKey is WOPIMMDDXSJCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-12-8-5-6-11(13,7-9-12)10-14-4-2/h13H,3-10H2,1-2H3.
What are the key properties of 4-(ethoxymethyl)-1-ethylazepan-4-ol?
4-(ethoxymethyl)-1-ethylazepan-4-ol has a molecular weight of 201.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1-ethylazepan-4-ol is sourced from PubChem (CID 79568100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).