4-ethyl-1,4-oxazocane

C8H17NO — CID 123629290

IUPAC4-ethyl-1,4-oxazocane
SMILESCCN1CCCCOCC1
InChIInChI=1S/C8H17NO/c1-2-9-5-3-4-7-10-8-6-9/h2-8H2,1H3
InChIKeyDQLGXSDMGCOGKG-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.12
Rot. Bonds1

About 4-ethyl-1,4-oxazocane

4-ethyl-1,4-oxazocane (PubChem CID 123629290) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-ethyl-1,4-oxazocane.

Molecular Properties

Compound Name4-ethyl-1,4-oxazocane
PubChem CID123629290
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-ethyl-1,4-oxazocane
SMILESCCN1CCCCOCC1
InChIInChI=1S/C8H17NO/c1-2-9-5-3-4-7-10-8-6-9/h2-8H2,1H3
InChIKeyDQLGXSDMGCOGKG-UHFFFAOYSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-1,4-oxazocane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethylmorpholine;hydron
CID 174383624
astatane;4-ethylmorpholine
CID 174883073
1-ethylpiperidine;1-methylpiperidine;oxane
CID 164954592
1-ethylpiperidine;4-methylmorpholine
CID 70445137
1-ethylpyrrolidine;hydrofluoride
CID 163271504
1,6-diethyl-1,6-diazecane
CID 172611513
bicyclo[2.2.1]hepta-1,3,5-triene;4-ethylmorpholine
CID 174270382
1-ethylpiperidine
CID 13007
ethane;4-ethylmorpholine;propan-2-ol
CID 172575881
4-ethylmorpholine;formic acid
CID 158286088
ethane;1-ethylpiperidine
CID 90845344
1-ethylpiperidine;methane
CID 162133943

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,4-oxazocane?
The IUPAC name of 4-ethyl-1,4-oxazocane (CID 123629290) is 4-ethyl-1,4-oxazocane.
What is the SMILES notation for 4-ethyl-1,4-oxazocane?
The canonical SMILES for 4-ethyl-1,4-oxazocane is CCN1CCCCOCC1.
What is the InChIKey of 4-ethyl-1,4-oxazocane?
The InChIKey is DQLGXSDMGCOGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-9-5-3-4-7-10-8-6-9/h2-8H2,1H3.
What are the key properties of 4-ethyl-1,4-oxazocane?
4-ethyl-1,4-oxazocane has a molecular weight of 143.23 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,4-oxazocane is sourced from PubChem (CID 123629290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).