3-[(Z)-tetradec-9-enyl]-1,3-oxazinan-2-one

C18H33NO2 — CID 70288951

IUPAC3-[(Z)-tetradec-9-enyl]-1,3-oxazinan-2-one
SMILESCCCC/C=C\CCCCCCCCN1CCCOC1=O
InChIInChI=1S/C18H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-16-14-17-21-18(19)20/h5-6H,2-4,7-17H2,1H3/b6-5-
InChIKeyUFWZTITVMWBGEF-WAYWQWQTSA-N
MW295.47 g/mol
LogP5.31
Rot. Bonds12

About 3-[(Z)-tetradec-9-enyl]-1,3-oxazinan-2-one

3-[(Z)-tetradec-9-enyl]-1,3-oxazinan-2-one (PubChem CID 70288951) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-[(Z)-tetradec-9-enyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[(Z)-tetradec-9-enyl]-1,3-oxazinan-2-one
PubChem CID70288951
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name3-[(Z)-tetradec-9-enyl]-1,3-oxazinan-2-one
SMILESCCCC/C=C\CCCCCCCCN1CCCOC1=O
InChIInChI=1S/C18H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-16-14-17-21-18(19)20/h5-6H,2-4,7-17H2,1H3/b6-5-
InChIKeyUFWZTITVMWBGEF-WAYWQWQTSA-N
XLogP5.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-tetradec-9-enyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[(Z)-tetradec-9-enyl]-1,3-oxazinan-2-one (CID 70288951) is 3-[(Z)-tetradec-9-enyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[(Z)-tetradec-9-enyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[(Z)-tetradec-9-enyl]-1,3-oxazinan-2-one is CCCC/C=C\CCCCCCCCN1CCCOC1=O.
What is the InChIKey of 3-[(Z)-tetradec-9-enyl]-1,3-oxazinan-2-one?
The InChIKey is UFWZTITVMWBGEF-WAYWQWQTSA-N. The full InChI is InChI=1S/C18H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-16-14-17-21-18(19)20/h5-6H,2-4,7-17H2,1H3/b6-5-.
What are the key properties of 3-[(Z)-tetradec-9-enyl]-1,3-oxazinan-2-one?
3-[(Z)-tetradec-9-enyl]-1,3-oxazinan-2-one has a molecular weight of 295.47 g/mol, XLogP of 5.31, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-tetradec-9-enyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 70288951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).