5-tert-butyl-1,3-oxazinane

C8H17NO — CID 155120903

IUPAC5-tert-butyl-1,3-oxazinane
SMILESCC(C)(C)C1CNCOC1
InChIInChI=1S/C8H17NO/c1-8(2,3)7-4-9-6-10-5-7/h7,9H,4-6H2,1-3H3
InChIKeyCEKRCAMWTWKZGY-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.23
Rot. Bonds

About 5-tert-butyl-1,3-oxazinane

5-tert-butyl-1,3-oxazinane (PubChem CID 155120903) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 5-tert-butyl-1,3-oxazinane.

Molecular Properties

Compound Name5-tert-butyl-1,3-oxazinane
PubChem CID155120903
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name5-tert-butyl-1,3-oxazinane
SMILESCC(C)(C)C1CNCOC1
InChIInChI=1S/C8H17NO/c1-8(2,3)7-4-9-6-10-5-7/h7,9H,4-6H2,1-3H3
InChIKeyCEKRCAMWTWKZGY-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-oxazinane?
The IUPAC name of 5-tert-butyl-1,3-oxazinane (CID 155120903) is 5-tert-butyl-1,3-oxazinane.
What is the SMILES notation for 5-tert-butyl-1,3-oxazinane?
The canonical SMILES for 5-tert-butyl-1,3-oxazinane is CC(C)(C)C1CNCOC1.
What is the InChIKey of 5-tert-butyl-1,3-oxazinane?
The InChIKey is CEKRCAMWTWKZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2,3)7-4-9-6-10-5-7/h7,9H,4-6H2,1-3H3.
What are the key properties of 5-tert-butyl-1,3-oxazinane?
5-tert-butyl-1,3-oxazinane has a molecular weight of 143.23 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-oxazinane is sourced from PubChem (CID 155120903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).