4-dodecyl-1,3-oxazinan-2-one

C16H31NO2 — CID 22163711

IUPAC4-dodecyl-1,3-oxazinan-2-one
SMILESCCCCCCCCCCCCC1CCOC(=O)N1
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-19-16(18)17-15/h15H,2-14H2,1H3,(H,17,18)
InChIKeyUDVSSSBKSBQPPS-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.80
Rot. Bonds11

About 4-dodecyl-1,3-oxazinan-2-one

4-dodecyl-1,3-oxazinan-2-one (PubChem CID 22163711) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-dodecyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-dodecyl-1,3-oxazinan-2-one
PubChem CID22163711
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name4-dodecyl-1,3-oxazinan-2-one
SMILESCCCCCCCCCCCCC1CCOC(=O)N1
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-19-16(18)17-15/h15H,2-14H2,1H3,(H,17,18)
InChIKeyUDVSSSBKSBQPPS-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-dodecyl-1,3-oxazinan-2-one?
The IUPAC name of 4-dodecyl-1,3-oxazinan-2-one (CID 22163711) is 4-dodecyl-1,3-oxazinan-2-one.
What is the SMILES notation for 4-dodecyl-1,3-oxazinan-2-one?
The canonical SMILES for 4-dodecyl-1,3-oxazinan-2-one is CCCCCCCCCCCCC1CCOC(=O)N1.
What is the InChIKey of 4-dodecyl-1,3-oxazinan-2-one?
The InChIKey is UDVSSSBKSBQPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-19-16(18)17-15/h15H,2-14H2,1H3,(H,17,18).
What are the key properties of 4-dodecyl-1,3-oxazinan-2-one?
4-dodecyl-1,3-oxazinan-2-one has a molecular weight of 269.43 g/mol, XLogP of 4.80, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecyl-1,3-oxazinan-2-one is sourced from PubChem (CID 22163711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).