2,4,4-trimethyl-2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride

C10H20ClNO2 — CID 117227591

IUPAC2,4,4-trimethyl-2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1(C)COC(C)(C2CCOC2)N1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-9(2)7-13-10(3,11-9)8-4-5-12-6-8;/h8,11H,4-7H2,1-3H3;1H
InChIKeyYXFLWHUEGIAGRU-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.56
Rot. Bonds1

About 2,4,4-trimethyl-2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride

2,4,4-trimethyl-2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227591) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 2,4,4-trimethyl-2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2,4,4-trimethyl-2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride
PubChem CID117227591
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name2,4,4-trimethyl-2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1(C)COC(C)(C2CCOC2)N1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-9(2)7-13-10(3,11-9)8-4-5-12-6-8;/h8,11H,4-7H2,1-3H3;1H
InChIKeyYXFLWHUEGIAGRU-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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Related Compounds

2,4,4-trimethyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227607
2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine
CID 117227590
2,4,4-trimethyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride
CID 117227695
2,4,4-trimethyl-2-(1-methylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227847
2,4,4-trimethyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine
CID 117227640
2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227438
2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride
CID 117227645
6-(oxolan-3-yl)-1,4-dioxepan-6-ol
CID 130559698
2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine
CID 130503579
[4-(oxolan-3-yl)oxan-4-yl]methanamine
CID 126973588
2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride
CID 154808050
3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine
CID 43608947

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2,4,4-trimethyl-2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride (CID 117227591) is 2,4,4-trimethyl-2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2,4,4-trimethyl-2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2,4,4-trimethyl-2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride is CC1(C)COC(C)(C2CCOC2)N1.Cl.
What is the InChIKey of 2,4,4-trimethyl-2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride?
The InChIKey is YXFLWHUEGIAGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-9(2)7-13-10(3,11-9)8-4-5-12-6-8;/h8,11H,4-7H2,1-3H3;1H.
What are the key properties of 2,4,4-trimethyl-2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride?
2,4,4-trimethyl-2-(oxolan-3-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 2,4,4-trimethyl-2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).