5-ethylsulfonyl-1-propoxypentan-2-one

C10H20O4S — CID 65097748

IUPAC5-ethylsulfonyl-1-propoxypentan-2-one
SMILESCCCOCC(=O)CCCS(=O)(=O)CC
InChIInChI=1S/C10H20O4S/c1-3-7-14-9-10(11)6-5-8-15(12,13)4-2/h3-9H2,1-2H3
InChIKeyLRNJTQNJVMCMFR-UHFFFAOYSA-N
MW236.33 g/mol
LogP1.20
Rot. Bonds9

About 5-ethylsulfonyl-1-propoxypentan-2-one

5-ethylsulfonyl-1-propoxypentan-2-one (PubChem CID 65097748) has the molecular formula C10H20O4S and a molecular weight of 236.33 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-propoxypentan-2-one.

Molecular Properties

Compound Name5-ethylsulfonyl-1-propoxypentan-2-one
PubChem CID65097748
Molecular FormulaC10H20O4S
Molecular Weight236.33 g/mol
Exact Mass236.11
IUPAC Name5-ethylsulfonyl-1-propoxypentan-2-one
SMILESCCCOCC(=O)CCCS(=O)(=O)CC
InChIInChI=1S/C10H20O4S/c1-3-7-14-9-10(11)6-5-8-15(12,13)4-2/h3-9H2,1-2H3
InChIKeyLRNJTQNJVMCMFR-UHFFFAOYSA-N
XLogP1.20
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethylsulfonyl-1-propoxyhexan-3-one
CID 105103944
1-hexoxyundecan-2-one
CID 57063853
6-propylsulfonylhexan-3-one
CID 106727029
1-amino-3-propoxypropan-2-one
CID 116548438
3-(3-butoxy-2-oxopropoxy)propane-1-sulfonic acid
CID 139608207
1-(2-aminoethoxy)dodecan-2-one
CID 116590896
1-propoxyhept-5-yn-2-one
CID 104803128
1-(4-chlorophenoxy)-5-ethylsulfonylpentan-2-one
CID 105103905
6-ethylsulfonyl-1-propoxyhexan-3-ol
CID 105101770
1,4-dioctoxybutan-2-one
CID 71375550
N-ethyl-2-[2-[4-oxo-5-[2-[2-[[2-[2-[4-oxo-5-(2-propoxyethoxy)pentoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]acetamide
CID 157294049
1-cycloheptyl-5-ethylsulfonylpentan-2-one
CID 114974504

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-propoxypentan-2-one?
The IUPAC name of 5-ethylsulfonyl-1-propoxypentan-2-one (CID 65097748) is 5-ethylsulfonyl-1-propoxypentan-2-one.
What is the SMILES notation for 5-ethylsulfonyl-1-propoxypentan-2-one?
The canonical SMILES for 5-ethylsulfonyl-1-propoxypentan-2-one is CCCOCC(=O)CCCS(=O)(=O)CC.
What is the InChIKey of 5-ethylsulfonyl-1-propoxypentan-2-one?
The InChIKey is LRNJTQNJVMCMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4S/c1-3-7-14-9-10(11)6-5-8-15(12,13)4-2/h3-9H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-1-propoxypentan-2-one?
5-ethylsulfonyl-1-propoxypentan-2-one has a molecular weight of 236.33 g/mol, XLogP of 1.20, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-propoxypentan-2-one is sourced from PubChem (CID 65097748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).