5-ethyl-2-(4-methylphenyl)sulfonyloxane

C14H20O3S — CID 85264948

IUPAC5-ethyl-2-(4-methylphenyl)sulfonyloxane
SMILESCCC1CCC(S(=O)(=O)c2ccc(C)cc2)OC1
InChIInChI=1S/C14H20O3S/c1-3-12-6-9-14(17-10-12)18(15,16)13-7-4-11(2)5-8-13/h4-5,7-8,12,14H,3,6,9-10H2,1-2H3
InChIKeyHJBGNIKDIDQLFQ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.93
Rot. Bonds3

About 5-ethyl-2-(4-methylphenyl)sulfonyloxane

5-ethyl-2-(4-methylphenyl)sulfonyloxane (PubChem CID 85264948) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-ethyl-2-(4-methylphenyl)sulfonyloxane.

Molecular Properties

Compound Name5-ethyl-2-(4-methylphenyl)sulfonyloxane
PubChem CID85264948
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name5-ethyl-2-(4-methylphenyl)sulfonyloxane
SMILESCCC1CCC(S(=O)(=O)c2ccc(C)cc2)OC1
InChIInChI=1S/C14H20O3S/c1-3-12-6-9-14(17-10-12)18(15,16)13-7-4-11(2)5-8-13/h4-5,7-8,12,14H,3,6,9-10H2,1-2H3
InChIKeyHJBGNIKDIDQLFQ-UHFFFAOYSA-N
XLogP2.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Sulfone, allyl p-tolyl
CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
Hexyl p-Toluenesulfonate
CID 220448
Ethanol, 2-[(4-methylphenyl)sulfonyl]-
CID 89682
2-Methyl-2-propenyl p-tolyl sulphone
CID 140043
4-(4-Methylphenyl)sulfonyl-4-oxanecarboxylic acid methyl ester
CID 3239604
1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene
CID 5006204
O-ethyl 2-(4-phenylphenyl)sulfonylethanethioate
CID 25215941
(Tetrahydro-2H-pyran-4-yl)methyl 4-methylbenzenesulfonate
CID 19077576
Acetic acid, (p-tolylsulfonyl)-, ethyl ester
CID 76102
Sulfonium, dimethyl((tetrahydro-2-furanyl)methyl)-, 4-methylbenzenesulfonate (1:1)
CID 3062268
Sulfonium, butylmethyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
CID 3062270

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-methylphenyl)sulfonyloxane?
The IUPAC name of 5-ethyl-2-(4-methylphenyl)sulfonyloxane (CID 85264948) is 5-ethyl-2-(4-methylphenyl)sulfonyloxane.
What is the SMILES notation for 5-ethyl-2-(4-methylphenyl)sulfonyloxane?
The canonical SMILES for 5-ethyl-2-(4-methylphenyl)sulfonyloxane is CCC1CCC(S(=O)(=O)c2ccc(C)cc2)OC1.
What is the InChIKey of 5-ethyl-2-(4-methylphenyl)sulfonyloxane?
The InChIKey is HJBGNIKDIDQLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-3-12-6-9-14(17-10-12)18(15,16)13-7-4-11(2)5-8-13/h4-5,7-8,12,14H,3,6,9-10H2,1-2H3.
What are the key properties of 5-ethyl-2-(4-methylphenyl)sulfonyloxane?
5-ethyl-2-(4-methylphenyl)sulfonyloxane has a molecular weight of 268.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-methylphenyl)sulfonyloxane is sourced from PubChem (CID 85264948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).