4,4-dimethyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine

C11H21NO2 — CID 117228036

IUPAC4,4-dimethyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine
SMILESCC1(C)COC(CC2CCCCO2)N1
InChIInChI=1S/C11H21NO2/c1-11(2)8-14-10(12-11)7-9-5-3-4-6-13-9/h9-10,12H,3-8H2,1-2H3
InChIKeyLQYJRHCRXMIOKC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds2

About 4,4-dimethyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine

4,4-dimethyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine (PubChem CID 117228036) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4,4-dimethyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name4,4-dimethyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine
PubChem CID117228036
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4,4-dimethyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine
SMILESCC1(C)COC(CC2CCCCO2)N1
InChIInChI=1S/C11H21NO2/c1-11(2)8-14-10(12-11)7-9-5-3-4-6-13-9/h9-10,12H,3-8H2,1-2H3
InChIKeyLQYJRHCRXMIOKC-UHFFFAOYSA-N
XLogP1.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-2-ylmethyl)oxane
CID 67860654
4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine
CID 117228008
4-methyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine
CID 117228034
4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227725
[(2S)-oxan-2-yl]methanol
CID 6950811
ethanol;oxan-2-ylmethanol
CID 66900182
ethane;[(2S)-oxan-2-yl]methanol;hydrate
CID 168916263
2-ethyl-5,5-dimethyloxane;2-ethyloxane
CID 165124837
4,4-dimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine
CID 117228610
2-methyl-4-(oxan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 117270063
3-(oxan-2-ylmethyl)pyrrolidine
CID 104680485
(2R)-2-(ethylsulfanylmethyl)oxane
CID 154221143

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine?
The IUPAC name of 4,4-dimethyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine (CID 117228036) is 4,4-dimethyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine.
What is the SMILES notation for 4,4-dimethyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine?
The canonical SMILES for 4,4-dimethyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine is CC1(C)COC(CC2CCCCO2)N1.
What is the InChIKey of 4,4-dimethyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine?
The InChIKey is LQYJRHCRXMIOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2)8-14-10(12-11)7-9-5-3-4-6-13-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine?
4,4-dimethyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine has a molecular weight of 199.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 117228036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).