5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane

C11H21NO2 — CID 117226259

IUPAC5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane
SMILESCC1(C)CNC(CC2CCOC2)OC1
InChIInChI=1S/C11H21NO2/c1-11(2)7-12-10(14-8-11)5-9-3-4-13-6-9/h9-10,12H,3-8H2,1-2H3
InChIKeyRHJDMXGRNMHIEG-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.39
Rot. Bonds2

About 5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane

5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane (PubChem CID 117226259) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane.

Molecular Properties

Compound Name5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane
PubChem CID117226259
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane
SMILESCC1(C)CNC(CC2CCOC2)OC1
InChIInChI=1S/C11H21NO2/c1-11(2)7-12-10(14-8-11)5-9-3-4-13-6-9/h9-10,12H,3-8H2,1-2H3
InChIKeyRHJDMXGRNMHIEG-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227699
5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane
CID 117226361
2-(oxolan-3-ylmethyl)-1,3-oxazinane
CID 117225885
5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazinane;hydrochloride
CID 117226304
5,5-dimethyl-2-(thian-2-ylmethyl)-1,3-oxazinane
CID 117226611
3-methyl-3-(oxolan-3-ylmethoxy)azetidine
CID 83066402
2-(oxan-4-ylmethyl)-1,3-oxazolidine
CID 117225640
4,4-dimethyl-N-(oxolan-3-ylmethyl)oxolan-3-amine
CID 130655992
5,5-dimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazinane
CID 117227217
4-bromo-2-methyl-3-(oxolan-3-ylmethyl)oxolane
CID 164656751
5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride
CID 117227196
[2-methyl-4-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanol
CID 117270395

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane?
The IUPAC name of 5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane (CID 117226259) is 5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane.
What is the SMILES notation for 5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane?
The canonical SMILES for 5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane is CC1(C)CNC(CC2CCOC2)OC1.
What is the InChIKey of 5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane?
The InChIKey is RHJDMXGRNMHIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2)7-12-10(14-8-11)5-9-3-4-13-6-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane?
5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane has a molecular weight of 199.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane is sourced from PubChem (CID 117226259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).