3-tert-butyl-4-methyl-2-methylidene-1,3-oxazolidine

C9H17NO — CID 72516655

IUPAC3-tert-butyl-4-methyl-2-methylidene-1,3-oxazolidine
SMILESC=C1OCC(C)N1C(C)(C)C
InChIInChI=1S/C9H17NO/c1-7-6-11-8(2)10(7)9(3,4)5/h7H,2,6H2,1,3-5H3
InChIKeyFNHSREASEDVYQX-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.98
Rot. Bonds

About 3-tert-butyl-4-methyl-2-methylidene-1,3-oxazolidine

3-tert-butyl-4-methyl-2-methylidene-1,3-oxazolidine (PubChem CID 72516655) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-tert-butyl-4-methyl-2-methylidene-1,3-oxazolidine.

Molecular Properties

Compound Name3-tert-butyl-4-methyl-2-methylidene-1,3-oxazolidine
PubChem CID72516655
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-tert-butyl-4-methyl-2-methylidene-1,3-oxazolidine
SMILESC=C1OCC(C)N1C(C)(C)C
InChIInChI=1S/C9H17NO/c1-7-6-11-8(2)10(7)9(3,4)5/h7H,2,6H2,1,3-5H3
InChIKeyFNHSREASEDVYQX-UHFFFAOYSA-N
XLogP1.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-methyl-2-methylidene-1,3-oxazolidine?
The IUPAC name of 3-tert-butyl-4-methyl-2-methylidene-1,3-oxazolidine (CID 72516655) is 3-tert-butyl-4-methyl-2-methylidene-1,3-oxazolidine.
What is the SMILES notation for 3-tert-butyl-4-methyl-2-methylidene-1,3-oxazolidine?
The canonical SMILES for 3-tert-butyl-4-methyl-2-methylidene-1,3-oxazolidine is C=C1OCC(C)N1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-methyl-2-methylidene-1,3-oxazolidine?
The InChIKey is FNHSREASEDVYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-6-11-8(2)10(7)9(3,4)5/h7H,2,6H2,1,3-5H3.
What are the key properties of 3-tert-butyl-4-methyl-2-methylidene-1,3-oxazolidine?
3-tert-butyl-4-methyl-2-methylidene-1,3-oxazolidine has a molecular weight of 155.24 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-methyl-2-methylidene-1,3-oxazolidine is sourced from PubChem (CID 72516655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).