6-tert-butyl-5-propan-2-yl-3-propyl-2,4-dihydro-1,3-oxazine

C14H27NO — CID 20773252

IUPAC6-tert-butyl-5-propan-2-yl-3-propyl-2,4-dihydro-1,3-oxazine
SMILESCCCN1COC(C(C)(C)C)=C(C(C)C)C1
InChIInChI=1S/C14H27NO/c1-7-8-15-9-12(11(2)3)13(16-10-15)14(4,5)6/h11H,7-10H2,1-6H3
InChIKeyPXGBQAHNYQZOLM-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.64
Rot. Bonds3

About 6-tert-butyl-5-propan-2-yl-3-propyl-2,4-dihydro-1,3-oxazine

6-tert-butyl-5-propan-2-yl-3-propyl-2,4-dihydro-1,3-oxazine (PubChem CID 20773252) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 6-tert-butyl-5-propan-2-yl-3-propyl-2,4-dihydro-1,3-oxazine.

Molecular Properties

Compound Name6-tert-butyl-5-propan-2-yl-3-propyl-2,4-dihydro-1,3-oxazine
PubChem CID20773252
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name6-tert-butyl-5-propan-2-yl-3-propyl-2,4-dihydro-1,3-oxazine
SMILESCCCN1COC(C(C)(C)C)=C(C(C)C)C1
InChIInChI=1S/C14H27NO/c1-7-8-15-9-12(11(2)3)13(16-10-15)14(4,5)6/h11H,7-10H2,1-6H3
InChIKeyPXGBQAHNYQZOLM-UHFFFAOYSA-N
XLogP3.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-propan-2-yl-3-propyl-2,4-dihydro-1,3-oxazine?
The IUPAC name of 6-tert-butyl-5-propan-2-yl-3-propyl-2,4-dihydro-1,3-oxazine (CID 20773252) is 6-tert-butyl-5-propan-2-yl-3-propyl-2,4-dihydro-1,3-oxazine.
What is the SMILES notation for 6-tert-butyl-5-propan-2-yl-3-propyl-2,4-dihydro-1,3-oxazine?
The canonical SMILES for 6-tert-butyl-5-propan-2-yl-3-propyl-2,4-dihydro-1,3-oxazine is CCCN1COC(C(C)(C)C)=C(C(C)C)C1.
What is the InChIKey of 6-tert-butyl-5-propan-2-yl-3-propyl-2,4-dihydro-1,3-oxazine?
The InChIKey is PXGBQAHNYQZOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-7-8-15-9-12(11(2)3)13(16-10-15)14(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of 6-tert-butyl-5-propan-2-yl-3-propyl-2,4-dihydro-1,3-oxazine?
6-tert-butyl-5-propan-2-yl-3-propyl-2,4-dihydro-1,3-oxazine has a molecular weight of 225.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-propan-2-yl-3-propyl-2,4-dihydro-1,3-oxazine is sourced from PubChem (CID 20773252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).