3,4-di(propan-2-yl)-1,3-oxazolidine

C9H19NO — CID 58916313

IUPAC3,4-di(propan-2-yl)-1,3-oxazolidine
SMILESCC(C)C1COCN1C(C)C
InChIInChI=1S/C9H19NO/c1-7(2)9-5-11-6-10(9)8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyLFRVHVUNAGLVOC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.71
Rot. Bonds2

About 3,4-di(propan-2-yl)-1,3-oxazolidine

3,4-di(propan-2-yl)-1,3-oxazolidine (PubChem CID 58916313) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-1,3-oxazolidine
PubChem CID58916313
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3,4-di(propan-2-yl)-1,3-oxazolidine
SMILESCC(C)C1COCN1C(C)C
InChIInChI=1S/C9H19NO/c1-7(2)9-5-11-6-10(9)8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyLFRVHVUNAGLVOC-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1,3-oxazolidine?
The IUPAC name of 3,4-di(propan-2-yl)-1,3-oxazolidine (CID 58916313) is 3,4-di(propan-2-yl)-1,3-oxazolidine.
What is the SMILES notation for 3,4-di(propan-2-yl)-1,3-oxazolidine?
The canonical SMILES for 3,4-di(propan-2-yl)-1,3-oxazolidine is CC(C)C1COCN1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-1,3-oxazolidine?
The InChIKey is LFRVHVUNAGLVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)9-5-11-6-10(9)8(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-1,3-oxazolidine?
3,4-di(propan-2-yl)-1,3-oxazolidine has a molecular weight of 157.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-1,3-oxazolidine is sourced from PubChem (CID 58916313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).