2,2,6-trimethyl-1,4-oxazepane

C8H17NO — CID 65035113

IUPAC2,2,6-trimethyl-1,4-oxazepane
SMILESCC1CNCC(C)(C)OC1
InChIInChI=1S/C8H17NO/c1-7-4-9-6-8(2,3)10-5-7/h7,9H,4-6H2,1-3H3
InChIKeyJZNYGRZEMVPGIW-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.02
Rot. Bonds

About 2,2,6-trimethyl-1,4-oxazepane

2,2,6-trimethyl-1,4-oxazepane (PubChem CID 65035113) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2,2,6-trimethyl-1,4-oxazepane.

Molecular Properties

Compound Name2,2,6-trimethyl-1,4-oxazepane
PubChem CID65035113
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2,2,6-trimethyl-1,4-oxazepane
SMILESCC1CNCC(C)(C)OC1
InChIInChI=1S/C8H17NO/c1-7-4-9-6-8(2,3)10-5-7/h7,9H,4-6H2,1-3H3
InChIKeyJZNYGRZEMVPGIW-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-1,4-oxazepane?
The IUPAC name of 2,2,6-trimethyl-1,4-oxazepane (CID 65035113) is 2,2,6-trimethyl-1,4-oxazepane.
What is the SMILES notation for 2,2,6-trimethyl-1,4-oxazepane?
The canonical SMILES for 2,2,6-trimethyl-1,4-oxazepane is CC1CNCC(C)(C)OC1.
What is the InChIKey of 2,2,6-trimethyl-1,4-oxazepane?
The InChIKey is JZNYGRZEMVPGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7-4-9-6-8(2,3)10-5-7/h7,9H,4-6H2,1-3H3.
What are the key properties of 2,2,6-trimethyl-1,4-oxazepane?
2,2,6-trimethyl-1,4-oxazepane has a molecular weight of 143.23 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-1,4-oxazepane is sourced from PubChem (CID 65035113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).