3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane

C10H19ClO3S — CID 114535793

IUPAC3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane
SMILESCCS(=O)(=O)CCC1(CCl)CCOC1C
InChIInChI=1S/C10H19ClO3S/c1-3-15(12,13)7-5-10(8-11)4-6-14-9(10)2/h9H,3-8H2,1-2H3
InChIKeyCOKCATLEGPWAEU-UHFFFAOYSA-N
MW254.78 g/mol
LogP1.85
Rot. Bonds5

About 3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane

3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane (PubChem CID 114535793) has the molecular formula C10H19ClO3S and a molecular weight of 254.78 g/mol. Its IUPAC name is 3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane.

Molecular Properties

Compound Name3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane
PubChem CID114535793
Molecular FormulaC10H19ClO3S
Molecular Weight254.78 g/mol
Exact Mass254.07
IUPAC Name3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane
SMILESCCS(=O)(=O)CCC1(CCl)CCOC1C
InChIInChI=1S/C10H19ClO3S/c1-3-15(12,13)7-5-10(8-11)4-6-14-9(10)2/h9H,3-8H2,1-2H3
InChIKeyCOKCATLEGPWAEU-UHFFFAOYSA-N
XLogP1.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine
CID 114534101
N-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 114535054
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534513
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 114534974
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534670
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)-2-methyloxolane
CID 114535773
[2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine
CID 104509499
2-methyl-3-(2-propylsulfonylethyl)oxolan-3-amine
CID 106733927
[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine
CID 106730398
3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane
CID 66033231
N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine
CID 103581413
3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane
CID 114535731

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane?
The IUPAC name of 3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane (CID 114535793) is 3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane.
What is the SMILES notation for 3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane?
The canonical SMILES for 3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane is CCS(=O)(=O)CCC1(CCl)CCOC1C.
What is the InChIKey of 3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane?
The InChIKey is COKCATLEGPWAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO3S/c1-3-15(12,13)7-5-10(8-11)4-6-14-9(10)2/h9H,3-8H2,1-2H3.
What are the key properties of 3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane?
3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane has a molecular weight of 254.78 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane is sourced from PubChem (CID 114535793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).