4,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride

C10H20ClNO2 — CID 117227699

IUPAC4,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride
SMILESCC1(C)COC(CC2CCOC2)N1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(2)7-13-9(11-10)5-8-3-4-12-6-8;/h8-9,11H,3-7H2,1-2H3;1H
InChIKeyBFXNFPRFTZTBBG-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.56
Rot. Bonds2

About 4,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride

4,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227699) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 4,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name4,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride
PubChem CID117227699
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name4,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride
SMILESCC1(C)COC(CC2CCOC2)N1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(2)7-13-9(11-10)5-8-3-4-12-6-8;/h8-9,11H,3-7H2,1-2H3;1H
InChIKeyBFXNFPRFTZTBBG-UHFFFAOYSA-N
XLogP1.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

5,5-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazinane
CID 117226259
4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227725
2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride
CID 117227797
4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227715
2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine
CID 117227798
3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine
CID 43608947
4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine
CID 117228008
2-(oxolan-3-ylmethyl)-1,3-oxazinane
CID 117225885
[2-methyl-4-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanol
CID 117270395
3-methyl-3-(oxolan-3-ylmethoxy)azetidine
CID 83066402
3-ethyloxolane
CID 10996972
2,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine
CID 117227702

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 4,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride (CID 117227699) is 4,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 4,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 4,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride is CC1(C)COC(CC2CCOC2)N1.Cl.
What is the InChIKey of 4,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride?
The InChIKey is BFXNFPRFTZTBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-10(2)7-13-9(11-10)5-8-3-4-12-6-8;/h8-9,11H,3-7H2,1-2H3;1H.
What are the key properties of 4,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride?
4,4-dimethyl-2-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.56, 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-(oxolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).