2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride

C8H18ClNO — CID 117228417

IUPAC2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C)(C(C)C)N1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-6(2)8(4)9-7(3)5-10-8;/h6-7,9H,5H2,1-4H3;1H
InChIKeyBAAFINUOLSKWRD-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.79
Rot. Bonds1

About 2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride

2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride (PubChem CID 117228417) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride
PubChem CID117228417
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C)(C(C)C)N1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-6(2)8(4)9-7(3)5-10-8;/h6-7,9H,5H2,1-4H3;1H
InChIKeyBAAFINUOLSKWRD-UHFFFAOYSA-N
XLogP1.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine
CID 45096021
2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride
CID 117227645
2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227729
2,4-dimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227605
2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine
CID 117227590
2,4-dimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227619
2,4-dimethyl-2-(oxan-2-yl)-1,3-oxazolidine
CID 117227926
2,4-dimethyl-2-(thian-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227829
2,4-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227787
4-[(2,4-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide;hydrochloride
CID 117227765
tert-butyl formate;2,2,4-trimethyl-1,3-oxazolidine
CID 143439621
2,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine
CID 117227702

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride (CID 117228417) is 2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride is CC1COC(C)(C(C)C)N1.Cl.
What is the InChIKey of 2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride?
The InChIKey is BAAFINUOLSKWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-6(2)8(4)9-7(3)5-10-8;/h6-7,9H,5H2,1-4H3;1H.
What are the key properties of 2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride?
2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117228417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).