4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine

C11H23NO — CID 5105001

IUPAC4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
SMILESCCC1COC(C)(CCC(C)C)N1
InChIInChI=1S/C11H23NO/c1-5-10-8-13-11(4,12-10)7-6-9(2)3/h9-10,12H,5-8H2,1-4H3
InChIKeyQJMLZAWFWIPNOD-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.54
Rot. Bonds4

About 4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine

4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine (PubChem CID 5105001) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine.

Molecular Properties

Compound Name4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
PubChem CID5105001
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
SMILESCCC1COC(C)(CCC(C)C)N1
InChIInChI=1S/C11H23NO/c1-5-10-8-13-11(4,12-10)7-6-9(2)3/h9-10,12H,5-8H2,1-4H3
InChIKeyQJMLZAWFWIPNOD-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
The IUPAC name of 4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine (CID 5105001) is 4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine.
What is the SMILES notation for 4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
The canonical SMILES for 4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine is CCC1COC(C)(CCC(C)C)N1.
What is the InChIKey of 4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
The InChIKey is QJMLZAWFWIPNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-10-8-13-11(4,12-10)7-6-9(2)3/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine has a molecular weight of 185.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine is sourced from PubChem (CID 5105001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).