3-(2-ethylhexyl)-5-methyl-1,3-oxazolidine-2,4-dione

C12H21NO3 — CID 121014355

IUPAC3-(2-ethylhexyl)-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCCCCC(CC)CN1C(=O)OC(C)C1=O
InChIInChI=1S/C12H21NO3/c1-4-6-7-10(5-2)8-13-11(14)9(3)16-12(13)15/h9-10H,4-8H2,1-3H3
InChIKeyFCHBCWUXJDLZPF-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.57
Rot. Bonds6

About 3-(2-ethylhexyl)-5-methyl-1,3-oxazolidine-2,4-dione

3-(2-ethylhexyl)-5-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 121014355) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-(2-ethylhexyl)-5-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-ethylhexyl)-5-methyl-1,3-oxazolidine-2,4-dione
PubChem CID121014355
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-(2-ethylhexyl)-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCCCCC(CC)CN1C(=O)OC(C)C1=O
InChIInChI=1S/C12H21NO3/c1-4-6-7-10(5-2)8-13-11(14)9(3)16-12(13)15/h9-10H,4-8H2,1-3H3
InChIKeyFCHBCWUXJDLZPF-UHFFFAOYSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-ethylhexyl)furo[3,4-c]pyrrole-4,6-dione
CID 102293952
2,3,9,10-tetrabromo-6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 70653710
(1S,2R,6R,7R)-4-[(2S)-2-ethylhexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 99937750
(1R,7S)-4-(2-ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 25141463
6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 16717830
3-amino-1-(2-ethylhexyl)azetidin-2-one
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2-(2-ethylhexyl)-6,7-dimethylbenzo[de]isoquinoline-1,3-dione
CID 157287985
1-(2-ethylhexyl)-3-methyl-1,3-diazinane-2,4,6-trione
CID 21307382
6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione
CID 64873285
7,22-bis(2-ethylhexyl)-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2,4,9,11,13,15,17(34),18(27),19(24),20(33),25,28(32),29,35-pentadecaene-6,8,21,23-tetrone
CID 58212311
1-(2-ethylhexyl)imidazolidin-2-one
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1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexyl)-5-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(2-ethylhexyl)-5-methyl-1,3-oxazolidine-2,4-dione (CID 121014355) is 3-(2-ethylhexyl)-5-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(2-ethylhexyl)-5-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(2-ethylhexyl)-5-methyl-1,3-oxazolidine-2,4-dione is CCCCC(CC)CN1C(=O)OC(C)C1=O.
What is the InChIKey of 3-(2-ethylhexyl)-5-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is FCHBCWUXJDLZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-6-7-10(5-2)8-13-11(14)9(3)16-12(13)15/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-(2-ethylhexyl)-5-methyl-1,3-oxazolidine-2,4-dione?
3-(2-ethylhexyl)-5-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 227.30 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexyl)-5-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 121014355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).