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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Related Compounds

Piperazinium, 4-carboxy-1-methyl-1-(10-undecenyl)-, iodide, ethyl ester
CID 3066862
Ethyl 4-methyl-4-undec-10-enylpiperazin-4-ium-1-carboxylate
CID 3066863
3-Undec-10-enyl-1,3-oxazinan-2-one
CID 18702576
3-Tetradec-9-enyl-1,3-oxazepan-2-one
CID 53814439
Ethoxycarbonyl-hexadecyl-octadec-9-enyl-octadecylazanium
CID 54043836
Ethoxycarbonyl-octadec-9-enyl-dioctadecylazanium
CID 54343130
3-Tetradec-9-enyl-1,3-oxazinan-2-one
CID 54351198
ethyl N,N-bis(octadec-9-enyl)carbamate
CID 57048843
3-[(Z)-dotriacont-23-en-15-yl]-1,3-oxazinan-2-one
CID 70288953
3-Tetradec-9-enoyl-1,3-oxazinan-2-one
CID 70288954
3-[(Z)-tetradec-9-enyl]-1,3-oxazepan-2-one
CID 70290896
3-(Cyclohexen-1-ylmethyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 70488011

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).