7,7-dimethyl-1,4-oxazepane

C7H15NO — CID 67123091

IUPAC7,7-dimethyl-1,4-oxazepane
SMILESCC1(C)CCNCCO1
InChIInChI=1S/C7H15NO/c1-7(2)3-4-8-5-6-9-7/h8H,3-6H2,1-2H3
InChIKeyOCMJEALURTVSCX-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.77
Rot. Bonds

About 7,7-dimethyl-1,4-oxazepane

7,7-dimethyl-1,4-oxazepane (PubChem CID 67123091) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 7,7-dimethyl-1,4-oxazepane.

Molecular Properties

Compound Name7,7-dimethyl-1,4-oxazepane
PubChem CID67123091
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name7,7-dimethyl-1,4-oxazepane
SMILESCC1(C)CCNCCO1
InChIInChI=1S/C7H15NO/c1-7(2)3-4-8-5-6-9-7/h8H,3-6H2,1-2H3
InChIKeyOCMJEALURTVSCX-UHFFFAOYSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1,4-oxazepane?
The IUPAC name of 7,7-dimethyl-1,4-oxazepane (CID 67123091) is 7,7-dimethyl-1,4-oxazepane.
What is the SMILES notation for 7,7-dimethyl-1,4-oxazepane?
The canonical SMILES for 7,7-dimethyl-1,4-oxazepane is CC1(C)CCNCCO1.
What is the InChIKey of 7,7-dimethyl-1,4-oxazepane?
The InChIKey is OCMJEALURTVSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)3-4-8-5-6-9-7/h8H,3-6H2,1-2H3.
What are the key properties of 7,7-dimethyl-1,4-oxazepane?
7,7-dimethyl-1,4-oxazepane has a molecular weight of 129.20 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1,4-oxazepane is sourced from PubChem (CID 67123091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).