5,5-dimethyl-3-propan-2-yl-1,3-oxazolidin-2-one;ethane

C10H21NO2 — CID 145346237

IUPAC5,5-dimethyl-3-propan-2-yl-1,3-oxazolidin-2-one;ethane
SMILESCC.CC(C)N1CC(C)(C)OC1=O
InChIInChI=1S/C8H15NO2.C2H6/c1-6(2)9-5-8(3,4)11-7(9)10;1-2/h6H,5H2,1-4H3;1-2H3
InChIKeyBQKAEEVIPKMKPK-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.65
Rot. Bonds1

About 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidin-2-one;ethane

5,5-dimethyl-3-propan-2-yl-1,3-oxazolidin-2-one;ethane (PubChem CID 145346237) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidin-2-one;ethane.

Molecular Properties

Compound Name5,5-dimethyl-3-propan-2-yl-1,3-oxazolidin-2-one;ethane
PubChem CID145346237
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name5,5-dimethyl-3-propan-2-yl-1,3-oxazolidin-2-one;ethane
SMILESCC.CC(C)N1CC(C)(C)OC1=O
InChIInChI=1S/C8H15NO2.C2H6/c1-6(2)9-5-8(3,4)11-7(9)10;1-2/h6H,5H2,1-4H3;1-2H3
InChIKeyBQKAEEVIPKMKPK-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
CID 165131645
5-[(dimethylamino)methyl]-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 171457008
2,2-dimethyl-4-propan-2-yl-3H-1,4-benzoxazine-6-sulfonyl chloride
CID 82340378
(4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one
CID 11493148
5,5-dimethyl-1-propan-2-ylpiperazine-2,3-dione
CID 24975158
5-fluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-2-one
CID 171846402
3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 165491160
3,6,6-trimethyl-1,3-oxazinane-2,4-dione
CID 143011935
5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 100950638
1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane
CID 157428700
ethane;2,2,6,6-tetramethyl-4-propan-2-ylmorpholine
CID 178173229
(5S)-5-methyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 15320772

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidin-2-one;ethane?
The IUPAC name of 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidin-2-one;ethane (CID 145346237) is 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidin-2-one;ethane.
What is the SMILES notation for 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidin-2-one;ethane?
The canonical SMILES for 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidin-2-one;ethane is CC.CC(C)N1CC(C)(C)OC1=O.
What is the InChIKey of 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidin-2-one;ethane?
The InChIKey is BQKAEEVIPKMKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2H6/c1-6(2)9-5-8(3,4)11-7(9)10;1-2/h6H,5H2,1-4H3;1-2H3.
What are the key properties of 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidin-2-one;ethane?
5,5-dimethyl-3-propan-2-yl-1,3-oxazolidin-2-one;ethane has a molecular weight of 187.28 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidin-2-one;ethane is sourced from PubChem (CID 145346237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).