4-ethyl-6-methoxy-1,4-oxazepane

C8H17NO2 — CID 166543360

IUPAC4-ethyl-6-methoxy-1,4-oxazepane
SMILESCCN1CCOCC(OC)C1
InChIInChI=1S/C8H17NO2/c1-3-9-4-5-11-7-8(6-9)10-2/h8H,3-7H2,1-2H3
InChIKeyFTOZGEKNDVDGPJ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.35
Rot. Bonds2

About 4-ethyl-6-methoxy-1,4-oxazepane

4-ethyl-6-methoxy-1,4-oxazepane (PubChem CID 166543360) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-ethyl-6-methoxy-1,4-oxazepane.

Molecular Properties

Compound Name4-ethyl-6-methoxy-1,4-oxazepane
PubChem CID166543360
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-ethyl-6-methoxy-1,4-oxazepane
SMILESCCN1CCOCC(OC)C1
InChIInChI=1S/C8H17NO2/c1-3-9-4-5-11-7-8(6-9)10-2/h8H,3-7H2,1-2H3
InChIKeyFTOZGEKNDVDGPJ-UHFFFAOYSA-N
XLogP0.35
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2,4-diethylmorpholine
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methoxy-1,4-oxazepane?
The IUPAC name of 4-ethyl-6-methoxy-1,4-oxazepane (CID 166543360) is 4-ethyl-6-methoxy-1,4-oxazepane.
What is the SMILES notation for 4-ethyl-6-methoxy-1,4-oxazepane?
The canonical SMILES for 4-ethyl-6-methoxy-1,4-oxazepane is CCN1CCOCC(OC)C1.
What is the InChIKey of 4-ethyl-6-methoxy-1,4-oxazepane?
The InChIKey is FTOZGEKNDVDGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-9-4-5-11-7-8(6-9)10-2/h8H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-6-methoxy-1,4-oxazepane?
4-ethyl-6-methoxy-1,4-oxazepane has a molecular weight of 159.23 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methoxy-1,4-oxazepane is sourced from PubChem (CID 166543360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).