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

C15H29NO2 — CID 10015248

IUPAC4-dodecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCC1COC(=O)N1
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-18-15(17)16-14/h14H,2-13H2,1H3,(H,16,17)
InChIKeyLPWVIUDBQKCWJH-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.41
Rot. Bonds11

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

4-dodecyl-1,3-oxazolidin-2-one (PubChem CID 10015248) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-dodecyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-dodecyl-1,3-oxazolidin-2-one
PubChem CID10015248
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-dodecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCC1COC(=O)N1
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-18-15(17)16-14/h14H,2-13H2,1H3,(H,16,17)
InChIKeyLPWVIUDBQKCWJH-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.41
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-oxazolidin-2-one?
The IUPAC name of 4-dodecyl-1,3-oxazolidin-2-one (CID 10015248) is 4-dodecyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-dodecyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-dodecyl-1,3-oxazolidin-2-one is CCCCCCCCCCCCC1COC(=O)N1.
What is the InChIKey of 4-dodecyl-1,3-oxazolidin-2-one?
The InChIKey is LPWVIUDBQKCWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-18-15(17)16-14/h14H,2-13H2,1H3,(H,16,17).
What are the key properties of 4-dodecyl-1,3-oxazolidin-2-one?
4-dodecyl-1,3-oxazolidin-2-one has a molecular weight of 255.40 g/mol, XLogP of 4.41, 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-oxazolidin-2-one is sourced from PubChem (CID 10015248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).