3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one

C11H21NO2 — CID 581720

IUPAC3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)CC(C)(C)N1CCOC1=O
InChIInChI=1S/C11H21NO2/c1-10(2,3)8-11(4,5)12-6-7-14-9(12)13/h6-8H2,1-5H3
InChIKeyDCEMOAJTQHHLAJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.65
Rot. Bonds2

About 3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one

3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one (PubChem CID 581720) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one
PubChem CID581720
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)CC(C)(C)N1CCOC1=O
InChIInChI=1S/C11H21NO2/c1-10(2,3)8-11(4,5)12-6-7-14-9(12)13/h6-8H2,1-5H3
InChIKeyDCEMOAJTQHHLAJ-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one (CID 581720) is 3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one is CC(C)(C)CC(C)(C)N1CCOC1=O.
What is the InChIKey of 3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is DCEMOAJTQHHLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2,3)8-11(4,5)12-6-7-14-9(12)13/h6-8H2,1-5H3.
What are the key properties of 3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one?
3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,4-trimethylpentan-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 581720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).