5,6-ditert-butyl-3-propyl-1,3-oxazinane

C15H31NO — CID 59996916

IUPAC5,6-ditert-butyl-3-propyl-1,3-oxazinane
SMILESCCCN1COC(C(C)(C)C)C(C(C)(C)C)C1
InChIInChI=1S/C15H31NO/c1-8-9-16-10-12(14(2,3)4)13(17-11-16)15(5,6)7/h12-13H,8-11H2,1-7H3
InChIKeyOENVNRPGIFYTML-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.76
Rot. Bonds2

About 5,6-ditert-butyl-3-propyl-1,3-oxazinane

5,6-ditert-butyl-3-propyl-1,3-oxazinane (PubChem CID 59996916) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 5,6-ditert-butyl-3-propyl-1,3-oxazinane.

Molecular Properties

Compound Name5,6-ditert-butyl-3-propyl-1,3-oxazinane
PubChem CID59996916
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name5,6-ditert-butyl-3-propyl-1,3-oxazinane
SMILESCCCN1COC(C(C)(C)C)C(C(C)(C)C)C1
InChIInChI=1S/C15H31NO/c1-8-9-16-10-12(14(2,3)4)13(17-11-16)15(5,6)7/h12-13H,8-11H2,1-7H3
InChIKeyOENVNRPGIFYTML-UHFFFAOYSA-N
XLogP3.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-3-propyl-1,3-oxazinane?
The IUPAC name of 5,6-ditert-butyl-3-propyl-1,3-oxazinane (CID 59996916) is 5,6-ditert-butyl-3-propyl-1,3-oxazinane.
What is the SMILES notation for 5,6-ditert-butyl-3-propyl-1,3-oxazinane?
The canonical SMILES for 5,6-ditert-butyl-3-propyl-1,3-oxazinane is CCCN1COC(C(C)(C)C)C(C(C)(C)C)C1.
What is the InChIKey of 5,6-ditert-butyl-3-propyl-1,3-oxazinane?
The InChIKey is OENVNRPGIFYTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-8-9-16-10-12(14(2,3)4)13(17-11-16)15(5,6)7/h12-13H,8-11H2,1-7H3.
What are the key properties of 5,6-ditert-butyl-3-propyl-1,3-oxazinane?
5,6-ditert-butyl-3-propyl-1,3-oxazinane has a molecular weight of 241.42 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-3-propyl-1,3-oxazinane is sourced from PubChem (CID 59996916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).