2,6-bis(ethenyl)-4-methyl-3-[(E)-2-methylbut-2-enyl]-5-[(Z)-prop-1-enyl]-1,4-oxazine

C17H23NO — CID 129214836

IUPAC2,6-bis(ethenyl)-4-methyl-3-[(E)-2-methylbut-2-enyl]-5-[(Z)-prop-1-enyl]-1,4-oxazine
SMILESC=CC1=C(/C=C\C)N(C)C(C/C(C)=C/C)=C(C=C)O1
InChIInChI=1S/C17H23NO/c1-7-11-14-16(9-3)19-17(10-4)15(18(14)6)12-13(5)8-2/h7-11H,3-4,12H2,1-2,5-6H3/b11-7-,13-8+
InChIKeyOIFQBCIUAKCDMI-JKNYEHFOSA-N
MW257.38 g/mol
LogP4.68
Rot. Bonds5

About 2,6-bis(ethenyl)-4-methyl-3-[(E)-2-methylbut-2-enyl]-5-[(Z)-prop-1-enyl]-1,4-oxazine

2,6-bis(ethenyl)-4-methyl-3-[(E)-2-methylbut-2-enyl]-5-[(Z)-prop-1-enyl]-1,4-oxazine (PubChem CID 129214836) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2,6-bis(ethenyl)-4-methyl-3-[(E)-2-methylbut-2-enyl]-5-[(Z)-prop-1-enyl]-1,4-oxazine.

Molecular Properties

Compound Name2,6-bis(ethenyl)-4-methyl-3-[(E)-2-methylbut-2-enyl]-5-[(Z)-prop-1-enyl]-1,4-oxazine
PubChem CID129214836
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2,6-bis(ethenyl)-4-methyl-3-[(E)-2-methylbut-2-enyl]-5-[(Z)-prop-1-enyl]-1,4-oxazine
SMILESC=CC1=C(/C=C\C)N(C)C(C/C(C)=C/C)=C(C=C)O1
InChIInChI=1S/C17H23NO/c1-7-11-14-16(9-3)19-17(10-4)15(18(14)6)12-13(5)8-2/h7-11H,3-4,12H2,1-2,5-6H3/b11-7-,13-8+
InChIKeyOIFQBCIUAKCDMI-JKNYEHFOSA-N
XLogP4.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(ethenyl)-4-methyl-3-[(E)-2-methylbut-2-enyl]-5-[(Z)-prop-1-enyl]-1,4-oxazine?
The IUPAC name of 2,6-bis(ethenyl)-4-methyl-3-[(E)-2-methylbut-2-enyl]-5-[(Z)-prop-1-enyl]-1,4-oxazine (CID 129214836) is 2,6-bis(ethenyl)-4-methyl-3-[(E)-2-methylbut-2-enyl]-5-[(Z)-prop-1-enyl]-1,4-oxazine.
What is the SMILES notation for 2,6-bis(ethenyl)-4-methyl-3-[(E)-2-methylbut-2-enyl]-5-[(Z)-prop-1-enyl]-1,4-oxazine?
The canonical SMILES for 2,6-bis(ethenyl)-4-methyl-3-[(E)-2-methylbut-2-enyl]-5-[(Z)-prop-1-enyl]-1,4-oxazine is C=CC1=C(/C=C\C)N(C)C(C/C(C)=C/C)=C(C=C)O1.
What is the InChIKey of 2,6-bis(ethenyl)-4-methyl-3-[(E)-2-methylbut-2-enyl]-5-[(Z)-prop-1-enyl]-1,4-oxazine?
The InChIKey is OIFQBCIUAKCDMI-JKNYEHFOSA-N. The full InChI is InChI=1S/C17H23NO/c1-7-11-14-16(9-3)19-17(10-4)15(18(14)6)12-13(5)8-2/h7-11H,3-4,12H2,1-2,5-6H3/b11-7-,13-8+.
What are the key properties of 2,6-bis(ethenyl)-4-methyl-3-[(E)-2-methylbut-2-enyl]-5-[(Z)-prop-1-enyl]-1,4-oxazine?
2,6-bis(ethenyl)-4-methyl-3-[(E)-2-methylbut-2-enyl]-5-[(Z)-prop-1-enyl]-1,4-oxazine has a molecular weight of 257.38 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(ethenyl)-4-methyl-3-[(E)-2-methylbut-2-enyl]-5-[(Z)-prop-1-enyl]-1,4-oxazine is sourced from PubChem (CID 129214836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).