3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane

C9H17ClO3S — CID 66033231

IUPAC3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane
SMILESCCS(=O)(=O)CCC1(CCl)CCOC1
InChIInChI=1S/C9H17ClO3S/c1-2-14(11,12)6-4-9(7-10)3-5-13-8-9/h2-8H2,1H3
InChIKeyWMTUJGYACLQFLZ-UHFFFAOYSA-N
MW240.75 g/mol
LogP1.46
Rot. Bonds5

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

3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane (PubChem CID 66033231) has the molecular formula C9H17ClO3S and a molecular weight of 240.75 g/mol. Its IUPAC name is 3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane.

Molecular Properties

Compound Name3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane
PubChem CID66033231
Molecular FormulaC9H17ClO3S
Molecular Weight240.75 g/mol
Exact Mass240.06
IUPAC Name3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane
SMILESCCS(=O)(=O)CCC1(CCl)CCOC1
InChIInChI=1S/C9H17ClO3S/c1-2-14(11,12)6-4-9(7-10)3-5-13-8-9/h2-8H2,1H3
InChIKeyWMTUJGYACLQFLZ-UHFFFAOYSA-N
XLogP1.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.75
LogP ≤ 51.46
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)oxolan-3-yl]methanol
CID 66060068
4-(chloromethyl)-4-(3-ethylsulfonylpropyl)oxane
CID 66035549
N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718512
N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine
CID 65097129
3-(2-butoxyethyl)-3-(chloromethyl)oxolane
CID 66033230
2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 106730002
[3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol
CID 66059232
3-(chloromethyl)-3-(2-propan-2-yloxyethyl)oxolane
CID 66035244
3-(2-ethylsulfonylethyl)oxolane-3-carboxylic acid
CID 62740969
N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 65097181
1-[3-(chloromethyl)oxolan-3-yl]-N-methylmethanamine
CID 130640166
3-(chloromethyl)-3-(2,2-dimethylpropyl)oxolane
CID 165446161

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane?
The IUPAC name of 3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane (CID 66033231) is 3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane.
What is the SMILES notation for 3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane?
The canonical SMILES for 3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane is CCS(=O)(=O)CCC1(CCl)CCOC1.
What is the InChIKey of 3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane?
The InChIKey is WMTUJGYACLQFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO3S/c1-2-14(11,12)6-4-9(7-10)3-5-13-8-9/h2-8H2,1H3.
What are the key properties of 3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane?
3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane has a molecular weight of 240.75 g/mol, XLogP of 1.46, 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)oxolane is sourced from PubChem (CID 66033231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).