5-(2,2-dimethylpropyl)-1,3-oxazolidine-2,4-dione

C8H13NO3 — CID 90078987

IUPAC5-(2,2-dimethylpropyl)-1,3-oxazolidine-2,4-dione
SMILESCC(C)(C)CC1OC(=O)NC1=O
InChIInChI=1S/C8H13NO3/c1-8(2,3)4-5-6(10)9-7(11)12-5/h5H,4H2,1-3H3,(H,9,10,11)
InChIKeyHDJSPPBNGDRBCW-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.06
Rot. Bonds1

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

5-(2,2-dimethylpropyl)-1,3-oxazolidine-2,4-dione (PubChem CID 90078987) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1,3-oxazolidine-2,4-dione
PubChem CID90078987
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name5-(2,2-dimethylpropyl)-1,3-oxazolidine-2,4-dione
SMILESCC(C)(C)CC1OC(=O)NC1=O
InChIInChI=1S/C8H13NO3/c1-8(2,3)4-5-6(10)9-7(11)12-5/h5H,4H2,1-3H3,(H,9,10,11)
InChIKeyHDJSPPBNGDRBCW-UHFFFAOYSA-N
XLogP1.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(2,2-dimethylpropyl)-1,3-oxazolidine-2,4-dione (CID 90078987) is 5-(2,2-dimethylpropyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1,3-oxazolidine-2,4-dione is CC(C)(C)CC1OC(=O)NC1=O.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is HDJSPPBNGDRBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-8(2,3)4-5-6(10)9-7(11)12-5/h5H,4H2,1-3H3,(H,9,10,11).
What are the key properties of 5-(2,2-dimethylpropyl)-1,3-oxazolidine-2,4-dione?
5-(2,2-dimethylpropyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 171.20 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 90078987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).