5,5-dimethyl-3-propan-2-yl-1,3-oxazolidine-2,4-dione

C8H13NO3 — CID 58337080

IUPAC5,5-dimethyl-3-propan-2-yl-1,3-oxazolidine-2,4-dione
SMILESCC(C)N1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C8H13NO3/c1-5(2)9-6(10)8(3,4)12-7(9)11/h5H,1-4H3
InChIKeyIBFCOJOZEYTBHO-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.15
Rot. Bonds1

About 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidine-2,4-dione

5,5-dimethyl-3-propan-2-yl-1,3-oxazolidine-2,4-dione (PubChem CID 58337080) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-propan-2-yl-1,3-oxazolidine-2,4-dione
PubChem CID58337080
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name5,5-dimethyl-3-propan-2-yl-1,3-oxazolidine-2,4-dione
SMILESCC(C)N1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C8H13NO3/c1-5(2)9-6(10)8(3,4)12-7(9)11/h5H,1-4H3
InChIKeyIBFCOJOZEYTBHO-UHFFFAOYSA-N
XLogP1.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidine-2,4-dione (CID 58337080) is 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidine-2,4-dione is CC(C)N1C(=O)OC(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidine-2,4-dione?
The InChIKey is IBFCOJOZEYTBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(2)9-6(10)8(3,4)12-7(9)11/h5H,1-4H3.
What are the key properties of 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidine-2,4-dione?
5,5-dimethyl-3-propan-2-yl-1,3-oxazolidine-2,4-dione has a molecular weight of 171.20 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-propan-2-yl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 58337080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).