3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one

C16H31NO2 — CID 151323535

IUPAC3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)CCCCCCCCCN1CCOC1=O
InChIInChI=1S/C16H31NO2/c1-16(2,3)11-9-7-5-4-6-8-10-12-17-13-14-19-15(17)18/h4-14H2,1-3H3
InChIKeyOGYQJHTWVBCHDH-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.61
Rot. Bonds9

About 3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one

3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one (PubChem CID 151323535) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one
PubChem CID151323535
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)CCCCCCCCCN1CCOC1=O
InChIInChI=1S/C16H31NO2/c1-16(2,3)11-9-7-5-4-6-8-10-12-17-13-14-19-15(17)18/h4-14H2,1-3H3
InChIKeyOGYQJHTWVBCHDH-UHFFFAOYSA-N
XLogP4.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.61
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-octadecyl-1,3-oxazolidin-2-one
CID 59720965
3-octyl-1,3-oxazolidin-2-one
CID 3565999
3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one
CID 70290547
3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one
CID 61350941
1-(2,2-dimethylpropyl)-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]urea
CID 110746783
diethyl 2-acetamido-2-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]propanedioate
CID 537221
3-(2-iodoethyl)-1,3-oxazolidin-2-one
CID 575068
3-(2-bromoethyl)-1,3-oxazolidin-2-one
CID 22757234
4-tert-butyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzamide
CID 110719243
3-(2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
CID 83815643
1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea
CID 110747891
4-(2-oxo-1,3-oxazolidin-3-yl)butanehydrazide
CID 61405937

Frequently Asked Questions

What is the IUPAC name of 3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one (CID 151323535) is 3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one is CC(C)(C)CCCCCCCCCN1CCOC1=O.
What is the InChIKey of 3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one?
The InChIKey is OGYQJHTWVBCHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-16(2,3)11-9-7-5-4-6-8-10-12-17-13-14-19-15(17)18/h4-14H2,1-3H3.
What are the key properties of 3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one?
3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one has a molecular weight of 269.43 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 151323535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).