7-tert-butyl-3,7-dimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine

C15H23NO — CID 167279727

IUPAC7-tert-butyl-3,7-dimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine
SMILESCN1COC2=C(C=CC(C)(C(C)(C)C)C=C2)C1
InChIInChI=1S/C15H23NO/c1-14(2,3)15(4)8-6-12-10-16(5)11-17-13(12)7-9-15/h6-9H,10-11H2,1-5H3
InChIKeyQHCNBDJMTIMXDO-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.34
Rot. Bonds

About 7-tert-butyl-3,7-dimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine

7-tert-butyl-3,7-dimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine (PubChem CID 167279727) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 7-tert-butyl-3,7-dimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine.

Molecular Properties

Compound Name7-tert-butyl-3,7-dimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine
PubChem CID167279727
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name7-tert-butyl-3,7-dimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine
SMILESCN1COC2=C(C=CC(C)(C(C)(C)C)C=C2)C1
InChIInChI=1S/C15H23NO/c1-14(2,3)15(4)8-6-12-10-16(5)11-17-13(12)7-9-15/h6-9H,10-11H2,1-5H3
InChIKeyQHCNBDJMTIMXDO-UHFFFAOYSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3,7-dimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine?
The IUPAC name of 7-tert-butyl-3,7-dimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine (CID 167279727) is 7-tert-butyl-3,7-dimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine.
What is the SMILES notation for 7-tert-butyl-3,7-dimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine?
The canonical SMILES for 7-tert-butyl-3,7-dimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine is CN1COC2=C(C=CC(C)(C(C)(C)C)C=C2)C1.
What is the InChIKey of 7-tert-butyl-3,7-dimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine?
The InChIKey is QHCNBDJMTIMXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(2,3)15(4)8-6-12-10-16(5)11-17-13(12)7-9-15/h6-9H,10-11H2,1-5H3.
What are the key properties of 7-tert-butyl-3,7-dimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine?
7-tert-butyl-3,7-dimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine has a molecular weight of 233.35 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3,7-dimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine is sourced from PubChem (CID 167279727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).