2-decylsulfonyl-3-propyloxirane

C15H30O3S — CID 12950522

IUPAC2-decylsulfonyl-3-propyloxirane
SMILESCCCCCCCCCCS(=O)(=O)C1OC1CCC
InChIInChI=1S/C15H30O3S/c1-3-5-6-7-8-9-10-11-13-19(16,17)15-14(18-15)12-4-2/h14-15H,3-13H2,1-2H3
InChIKeyRQJLFPVLQGJWAD-UHFFFAOYSA-N
MW290.47 g/mol
LogP4.07
Rot. Bonds12

About 2-decylsulfonyl-3-propyloxirane

2-decylsulfonyl-3-propyloxirane (PubChem CID 12950522) has the molecular formula C15H30O3S and a molecular weight of 290.47 g/mol. Its IUPAC name is 2-decylsulfonyl-3-propyloxirane.

Molecular Properties

Compound Name2-decylsulfonyl-3-propyloxirane
PubChem CID12950522
Molecular FormulaC15H30O3S
Molecular Weight290.47 g/mol
Exact Mass290.19
IUPAC Name2-decylsulfonyl-3-propyloxirane
SMILESCCCCCCCCCCS(=O)(=O)C1OC1CCC
InChIInChI=1S/C15H30O3S/c1-3-5-6-7-8-9-10-11-13-19(16,17)15-14(18-15)12-4-2/h14-15H,3-13H2,1-2H3
InChIKeyRQJLFPVLQGJWAD-UHFFFAOYSA-N
XLogP4.07
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 54.07
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-decylsulfonyl-3-propyloxirane?
The IUPAC name of 2-decylsulfonyl-3-propyloxirane (CID 12950522) is 2-decylsulfonyl-3-propyloxirane.
What is the SMILES notation for 2-decylsulfonyl-3-propyloxirane?
The canonical SMILES for 2-decylsulfonyl-3-propyloxirane is CCCCCCCCCCS(=O)(=O)C1OC1CCC.
What is the InChIKey of 2-decylsulfonyl-3-propyloxirane?
The InChIKey is RQJLFPVLQGJWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3S/c1-3-5-6-7-8-9-10-11-13-19(16,17)15-14(18-15)12-4-2/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-decylsulfonyl-3-propyloxirane?
2-decylsulfonyl-3-propyloxirane has a molecular weight of 290.47 g/mol, XLogP of 4.07, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylsulfonyl-3-propyloxirane is sourced from PubChem (CID 12950522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).