4-decyl-3-methyl-1,3-oxazolidin-2-one

C14H27NO2 — CID 14836205

IUPAC4-decyl-3-methyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCC1COC(=O)N1C
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-10-11-13-12-17-14(16)15(13)2/h13H,3-12H2,1-2H3
InChIKeyVANZPDXXLKKLRQ-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.97
Rot. Bonds9

About 4-decyl-3-methyl-1,3-oxazolidin-2-one

4-decyl-3-methyl-1,3-oxazolidin-2-one (PubChem CID 14836205) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-decyl-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-decyl-3-methyl-1,3-oxazolidin-2-one
PubChem CID14836205
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-decyl-3-methyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCC1COC(=O)N1C
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-10-11-13-12-17-14(16)15(13)2/h13H,3-12H2,1-2H3
InChIKeyVANZPDXXLKKLRQ-UHFFFAOYSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Decyloxazolidinone
CID 10220190
(4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one
CID 90683234
tert-butyl (4S)-4-[(2S)-2-fluoroundecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134934921
3-Octyl-1,3-oxazolidin-2-one
CID 3565999
4-n-Dodecyl-2-oxazolidone
CID 10015248
3-Decyl-1,3-oxazolidin-2-one
CID 12292567
5-(1,1-Difluorooctyl)-3-methyl-1,3-oxazolidin-2-one
CID 101432699
Ethyl 2-oxo-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)-1,3-oxazolidine-3-carboxylate
CID 101549381
4-Hexyl-1,3-oxazolidin-2-one
CID 22057714
Ethyl 2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 45120189
Ctk0I8889
CID 10986721
4-n-Tetradecyl-2-oxazolidone
CID 129727298

Frequently Asked Questions

What is the IUPAC name of 4-decyl-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-decyl-3-methyl-1,3-oxazolidin-2-one (CID 14836205) is 4-decyl-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-decyl-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-decyl-3-methyl-1,3-oxazolidin-2-one is CCCCCCCCCCC1COC(=O)N1C.
What is the InChIKey of 4-decyl-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is VANZPDXXLKKLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-10-11-13-12-17-14(16)15(13)2/h13H,3-12H2,1-2H3.
What are the key properties of 4-decyl-3-methyl-1,3-oxazolidin-2-one?
4-decyl-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 241.37 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 14836205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).