2-(octylsulfonylmethyl)oxirane

C11H22O3S — CID 13284957

IUPAC2-(octylsulfonylmethyl)oxirane
SMILESCCCCCCCCS(=O)(=O)CC1CO1
InChIInChI=1S/C11H22O3S/c1-2-3-4-5-6-7-8-15(12,13)10-11-9-14-11/h11H,2-10H2,1H3
InChIKeyFELFSGIFPHTDOJ-UHFFFAOYSA-N
MW234.36 g/mol
LogP2.16
Rot. Bonds9

About 2-(octylsulfonylmethyl)oxirane

2-(octylsulfonylmethyl)oxirane (PubChem CID 13284957) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-(octylsulfonylmethyl)oxirane.

Molecular Properties

Compound Name2-(octylsulfonylmethyl)oxirane
PubChem CID13284957
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name2-(octylsulfonylmethyl)oxirane
SMILESCCCCCCCCS(=O)(=O)CC1CO1
InChIInChI=1S/C11H22O3S/c1-2-3-4-5-6-7-8-15(12,13)10-11-9-14-11/h11H,2-10H2,1H3
InChIKeyFELFSGIFPHTDOJ-UHFFFAOYSA-N
XLogP2.16
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(octylsulfonylmethyl)oxirane?
The IUPAC name of 2-(octylsulfonylmethyl)oxirane (CID 13284957) is 2-(octylsulfonylmethyl)oxirane.
What is the SMILES notation for 2-(octylsulfonylmethyl)oxirane?
The canonical SMILES for 2-(octylsulfonylmethyl)oxirane is CCCCCCCCS(=O)(=O)CC1CO1.
What is the InChIKey of 2-(octylsulfonylmethyl)oxirane?
The InChIKey is FELFSGIFPHTDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-2-3-4-5-6-7-8-15(12,13)10-11-9-14-11/h11H,2-10H2,1H3.
What are the key properties of 2-(octylsulfonylmethyl)oxirane?
2-(octylsulfonylmethyl)oxirane has a molecular weight of 234.36 g/mol, XLogP of 2.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octylsulfonylmethyl)oxirane is sourced from PubChem (CID 13284957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).