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

C23H45NO2 — CID 69088250

IUPAC3,4-didecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCC1COC(=O)N1CCCCCCCCCC
InChIInChI=1S/C23H45NO2/c1-3-5-7-9-11-13-15-17-19-22-21-26-23(25)24(22)20-18-16-14-12-10-8-6-4-2/h22H,3-21H2,1-2H3
InChIKeyDOGVCJOPXGQKFY-UHFFFAOYSA-N
MW367.62 g/mol
LogP7.48
Rot. Bonds18

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

3,4-didecyl-1,3-oxazolidin-2-one (PubChem CID 69088250) has the molecular formula C23H45NO2 and a molecular weight of 367.62 g/mol. Its IUPAC name is 3,4-didecyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3,4-didecyl-1,3-oxazolidin-2-one
PubChem CID69088250
Molecular FormulaC23H45NO2
Molecular Weight367.62 g/mol
Exact Mass367.35
IUPAC Name3,4-didecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCC1COC(=O)N1CCCCCCCCCC
InChIInChI=1S/C23H45NO2/c1-3-5-7-9-11-13-15-17-19-22-21-26-23(25)24(22)20-18-16-14-12-10-8-6-4-2/h22H,3-21H2,1-2H3
InChIKeyDOGVCJOPXGQKFY-UHFFFAOYSA-N
XLogP7.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 57.48
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

3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one
CID 58234740
(4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one
CID 150010367
4-methyl-3-pentyl-1,3-oxazolidin-2-one
CID 11378760
3-(2-chloroethyl)-4-(2-oxodecyl)-1,3-oxazolidin-2-one
CID 11507750
4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one
CID 117010915
1-methyl-4-nonylazetidin-2-one
CID 70542920
4-undecylcyclopentane-1,2-dione
CID 54303237
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169
3-dodecyloxetan-2-one
CID 165020567
3-butyl-1-heptylaziridin-2-one
CID 23178730
(4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one
CID 15468887

Frequently Asked Questions

What is the IUPAC name of 3,4-didecyl-1,3-oxazolidin-2-one?
The IUPAC name of 3,4-didecyl-1,3-oxazolidin-2-one (CID 69088250) is 3,4-didecyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3,4-didecyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3,4-didecyl-1,3-oxazolidin-2-one is CCCCCCCCCCC1COC(=O)N1CCCCCCCCCC.
What is the InChIKey of 3,4-didecyl-1,3-oxazolidin-2-one?
The InChIKey is DOGVCJOPXGQKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO2/c1-3-5-7-9-11-13-15-17-19-22-21-26-23(25)24(22)20-18-16-14-12-10-8-6-4-2/h22H,3-21H2,1-2H3.
What are the key properties of 3,4-didecyl-1,3-oxazolidin-2-one?
3,4-didecyl-1,3-oxazolidin-2-one has a molecular weight of 367.62 g/mol, XLogP of 7.48, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-didecyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69088250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).