5-ethyl-2-methyl-2-methylsulfonylnonan-3-one

C13H26O3S — CID 114963651

IUPAC5-ethyl-2-methyl-2-methylsulfonylnonan-3-one
SMILESCCCCC(CC)CC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H26O3S/c1-6-8-9-11(7-2)10-12(14)13(3,4)17(5,15)16/h11H,6-10H2,1-5H3
InChIKeyJHPMMRDXONWCBM-UHFFFAOYSA-N
MW262.41 g/mol
LogP2.99
Rot. Bonds8

About 5-ethyl-2-methyl-2-methylsulfonylnonan-3-one

5-ethyl-2-methyl-2-methylsulfonylnonan-3-one (PubChem CID 114963651) has the molecular formula C13H26O3S and a molecular weight of 262.41 g/mol. Its IUPAC name is 5-ethyl-2-methyl-2-methylsulfonylnonan-3-one.

Molecular Properties

Compound Name5-ethyl-2-methyl-2-methylsulfonylnonan-3-one
PubChem CID114963651
Molecular FormulaC13H26O3S
Molecular Weight262.41 g/mol
Exact Mass262.16
IUPAC Name5-ethyl-2-methyl-2-methylsulfonylnonan-3-one
SMILESCCCCC(CC)CC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H26O3S/c1-6-8-9-11(7-2)10-12(14)13(3,4)17(5,15)16/h11H,6-10H2,1-5H3
InChIKeyJHPMMRDXONWCBM-UHFFFAOYSA-N
XLogP2.99
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-hydroxy-2-methylnonan-3-one
CID 103446069
(5R)-5-ethyl-2,2-dimethyldecan-3-one
CID 101155077
6-ethyl-2,2-dimethyldecan-4-one
CID 63890637
tert-butyl 3-ethylheptanoate
CID 545580
3-amino-6-ethyl-1-methylsulfonyldecan-4-one
CID 116551854
zinc bis(3-ethylheptanoate)
CID 159696376
6-ethyl-3-methoxy-2,2-dimethyldecan-4-one
CID 116709605
3,6-diethyl-3-pyrrolidin-1-yldecan-4-one
CID 79068131
3-ethylheptaneperoxoic acid
CID 54542102
sodium 5,12-diethyl-7,10-dioxohexadecane-8-sulfonate
CID 88512777
3-ethylhexadecanoic acid
CID 14298660
2-methyl-2-methylsulfonylheptan-3-ol
CID 115783263

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-2-methylsulfonylnonan-3-one?
The IUPAC name of 5-ethyl-2-methyl-2-methylsulfonylnonan-3-one (CID 114963651) is 5-ethyl-2-methyl-2-methylsulfonylnonan-3-one.
What is the SMILES notation for 5-ethyl-2-methyl-2-methylsulfonylnonan-3-one?
The canonical SMILES for 5-ethyl-2-methyl-2-methylsulfonylnonan-3-one is CCCCC(CC)CC(=O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 5-ethyl-2-methyl-2-methylsulfonylnonan-3-one?
The InChIKey is JHPMMRDXONWCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3S/c1-6-8-9-11(7-2)10-12(14)13(3,4)17(5,15)16/h11H,6-10H2,1-5H3.
What are the key properties of 5-ethyl-2-methyl-2-methylsulfonylnonan-3-one?
5-ethyl-2-methyl-2-methylsulfonylnonan-3-one has a molecular weight of 262.41 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-2-methylsulfonylnonan-3-one is sourced from PubChem (CID 114963651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).