6-ethylsulfonyl-1-(2-methoxyethoxy)hexan-3-one

C11H22O5S — CID 102927438

IUPAC6-ethylsulfonyl-1-(2-methoxyethoxy)hexan-3-one
SMILESCCS(=O)(=O)CCCC(=O)CCOCCOC
InChIInChI=1S/C11H22O5S/c1-3-17(13,14)10-4-5-11(12)6-7-16-9-8-15-2/h3-10H2,1-2H3
InChIKeyQPFPARWCHWIMSJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.82
Rot. Bonds11

About 6-ethylsulfonyl-1-(2-methoxyethoxy)hexan-3-one

6-ethylsulfonyl-1-(2-methoxyethoxy)hexan-3-one (PubChem CID 102927438) has the molecular formula C11H22O5S and a molecular weight of 266.36 g/mol. Its IUPAC name is 6-ethylsulfonyl-1-(2-methoxyethoxy)hexan-3-one.

Molecular Properties

Compound Name6-ethylsulfonyl-1-(2-methoxyethoxy)hexan-3-one
PubChem CID102927438
Molecular FormulaC11H22O5S
Molecular Weight266.36 g/mol
Exact Mass266.12
IUPAC Name6-ethylsulfonyl-1-(2-methoxyethoxy)hexan-3-one
SMILESCCS(=O)(=O)CCCC(=O)CCOCCOC
InChIInChI=1S/C11H22O5S/c1-3-17(13,14)10-4-5-11(12)6-7-16-9-8-15-2/h3-10H2,1-2H3
InChIKeyQPFPARWCHWIMSJ-UHFFFAOYSA-N
XLogP0.82
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-Difluoroethoxy)-6-methylsulfonylhexan-3-one
CID 103147159
1-(2,2-Difluoroethoxy)-6-ethylsulfonylhexan-3-one
CID 103147285
6-Ethylsulfonyl-1-(2,2,2-trifluoroethoxy)hexan-3-one
CID 113780714
6-(2-Propylsulfonylethoxy)hexan-2-one
CID 57994135
5-[2-(2-Methoxyethoxy)ethoxy]-1-propan-2-ylsulfonylpentan-2-one
CID 117879501
S-[3-oxo-6-[2-(3-oxobutoxy)propoxy]hexyl] ethanethioate
CID 160417241
1-Methoxy-6-methylsulfonylhexan-3-one
CID 63192438
6-Methoxy-1-methylsulfonylhexan-3-one
CID 65091958
6-Ethylsulfonyl-1-methoxyhexan-3-one
CID 65098370
1-(1,4-Dioxan-2-yl)-4-ethylsulfonylbutan-1-one
CID 65350624
1-(1,4-Dioxan-2-yl)-4-methylsulfonylbutan-1-one
CID 65351272
1-(2-Methoxyethoxy)-6-methylsulfonylhexan-3-one
CID 102927338

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-1-(2-methoxyethoxy)hexan-3-one?
The IUPAC name of 6-ethylsulfonyl-1-(2-methoxyethoxy)hexan-3-one (CID 102927438) is 6-ethylsulfonyl-1-(2-methoxyethoxy)hexan-3-one.
What is the SMILES notation for 6-ethylsulfonyl-1-(2-methoxyethoxy)hexan-3-one?
The canonical SMILES for 6-ethylsulfonyl-1-(2-methoxyethoxy)hexan-3-one is CCS(=O)(=O)CCCC(=O)CCOCCOC.
What is the InChIKey of 6-ethylsulfonyl-1-(2-methoxyethoxy)hexan-3-one?
The InChIKey is QPFPARWCHWIMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5S/c1-3-17(13,14)10-4-5-11(12)6-7-16-9-8-15-2/h3-10H2,1-2H3.
What are the key properties of 6-ethylsulfonyl-1-(2-methoxyethoxy)hexan-3-one?
6-ethylsulfonyl-1-(2-methoxyethoxy)hexan-3-one has a molecular weight of 266.36 g/mol, XLogP of 0.82, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-1-(2-methoxyethoxy)hexan-3-one is sourced from PubChem (CID 102927438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).