(5R)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one

C17H22O5S — CID 10088506

IUPAC(5R)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one
SMILESCC[C@@]1(C)OC(=O)C(OC(C)C)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H22O5S/c1-6-17(4)14(15(16(18)22-17)21-11(2)3)12-7-9-13(10-8-12)23(5,19)20/h7-11H,6H2,1-5H3/t17-/m1/s1
InChIKeyFZYAFLPJDVKKQI-QGZVFWFLSA-N
MW338.43 g/mol
LogP2.95
Rot. Bonds5

About (5R)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one

(5R)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one (PubChem CID 10088506) has the molecular formula C17H22O5S and a molecular weight of 338.43 g/mol. Its IUPAC name is (5R)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one.

Molecular Properties

Compound Name(5R)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one
PubChem CID10088506
Molecular FormulaC17H22O5S
Molecular Weight338.43 g/mol
Exact Mass338.12
IUPAC Name(5R)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one
SMILESCC[C@@]1(C)OC(=O)C(OC(C)C)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H22O5S/c1-6-17(4)14(15(16(18)22-17)21-11(2)3)12-7-9-13(10-8-12)23(5,19)20/h7-11H,6H2,1-5H3/t17-/m1/s1
InChIKeyFZYAFLPJDVKKQI-QGZVFWFLSA-N
XLogP2.95
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one?
The IUPAC name of (5R)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one (CID 10088506) is (5R)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one.
What is the SMILES notation for (5R)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one?
The canonical SMILES for (5R)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one is CC[C@@]1(C)OC(=O)C(OC(C)C)=C1c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (5R)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one?
The InChIKey is FZYAFLPJDVKKQI-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22O5S/c1-6-17(4)14(15(16(18)22-17)21-11(2)3)12-7-9-13(10-8-12)23(5,19)20/h7-11H,6H2,1-5H3/t17-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one?
(5R)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one has a molecular weight of 338.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one is sourced from PubChem (CID 10088506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).