3-(3,3-dimethylbutyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione

C11H19NO3 — CID 21027147

IUPAC3-(3,3-dimethylbutyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCC(C)(C)CCN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C11H19NO3/c1-10(2,3)6-7-12-8(13)11(4,5)15-9(12)14/h6-7H2,1-5H3
InChIKeyCQFBPDBWOKLUIX-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.18
Rot. Bonds2

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

3-(3,3-dimethylbutyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione (PubChem CID 21027147) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(3,3-dimethylbutyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3,3-dimethylbutyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
PubChem CID21027147
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-(3,3-dimethylbutyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCC(C)(C)CCN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C11H19NO3/c1-10(2,3)6-7-12-8(13)11(4,5)15-9(12)14/h6-7H2,1-5H3
InChIKeyCQFBPDBWOKLUIX-UHFFFAOYSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(3,3-dimethylbutyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione (CID 21027147) is 3-(3,3-dimethylbutyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(3,3-dimethylbutyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(3,3-dimethylbutyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione is CC(C)(C)CCN1C(=O)OC(C)(C)C1=O.
What is the InChIKey of 3-(3,3-dimethylbutyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The InChIKey is CQFBPDBWOKLUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)6-7-12-8(13)11(4,5)15-9(12)14/h6-7H2,1-5H3.
What are the key properties of 3-(3,3-dimethylbutyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
3-(3,3-dimethylbutyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione has a molecular weight of 213.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 21027147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).