2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride

C10H20ClNO2 — CID 117227645

IUPAC2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C)(C2CCOCC2)N1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-8-7-13-10(2,11-8)9-3-5-12-6-4-9;/h8-9,11H,3-7H2,1-2H3;1H
InChIKeyPDQVLAXKLBXYPZ-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.56
Rot. Bonds1

About 2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride

2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227645) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride
PubChem CID117227645
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C)(C2CCOCC2)N1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-8-7-13-10(2,11-8)9-3-5-12-6-4-9;/h8-9,11H,3-7H2,1-2H3;1H
InChIKeyPDQVLAXKLBXYPZ-UHFFFAOYSA-N
XLogP1.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride (CID 117227645) is 2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride is CC1COC(C)(C2CCOCC2)N1.Cl.
What is the InChIKey of 2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride?
The InChIKey is PDQVLAXKLBXYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-8-7-13-10(2,11-8)9-3-5-12-6-4-9;/h8-9,11H,3-7H2,1-2H3;1H.
What are the key properties of 2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride?
2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).