4-ethyl-6-methyl-1,4-oxazepane

C8H17NO — CID 91104812

IUPAC4-ethyl-6-methyl-1,4-oxazepane
SMILESCCN1CCOCC(C)C1
InChIInChI=1S/C8H17NO/c1-3-9-4-5-10-7-8(2)6-9/h8H,3-7H2,1-2H3
InChIKeyYBMGCTFORQXYOU-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.97
Rot. Bonds1

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

4-ethyl-6-methyl-1,4-oxazepane (PubChem CID 91104812) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-ethyl-6-methyl-1,4-oxazepane.

Molecular Properties

Compound Name4-ethyl-6-methyl-1,4-oxazepane
PubChem CID91104812
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-ethyl-6-methyl-1,4-oxazepane
SMILESCCN1CCOCC(C)C1
InChIInChI=1S/C8H17NO/c1-3-9-4-5-10-7-8(2)6-9/h8H,3-7H2,1-2H3
InChIKeyYBMGCTFORQXYOU-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methyl-1,4-oxazepane?
The IUPAC name of 4-ethyl-6-methyl-1,4-oxazepane (CID 91104812) is 4-ethyl-6-methyl-1,4-oxazepane.
What is the SMILES notation for 4-ethyl-6-methyl-1,4-oxazepane?
The canonical SMILES for 4-ethyl-6-methyl-1,4-oxazepane is CCN1CCOCC(C)C1.
What is the InChIKey of 4-ethyl-6-methyl-1,4-oxazepane?
The InChIKey is YBMGCTFORQXYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-9-4-5-10-7-8(2)6-9/h8H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-6-methyl-1,4-oxazepane?
4-ethyl-6-methyl-1,4-oxazepane has a molecular weight of 143.23 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methyl-1,4-oxazepane is sourced from PubChem (CID 91104812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).