5-ethylsulfinylpentan-2-one

C7H14O2S — CID 64640070

IUPAC5-ethylsulfinylpentan-2-one
SMILESCCS(=O)CCCC(C)=O
InChIInChI=1S/C7H14O2S/c1-3-10(9)6-4-5-7(2)8/h3-6H2,1-2H3
InChIKeyDSDMNZVSHTYFKQ-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.12
Rot. Bonds5

About 5-ethylsulfinylpentan-2-one

5-ethylsulfinylpentan-2-one (PubChem CID 64640070) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 5-ethylsulfinylpentan-2-one.

Molecular Properties

Compound Name5-ethylsulfinylpentan-2-one
PubChem CID64640070
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name5-ethylsulfinylpentan-2-one
SMILESCCS(=O)CCCC(C)=O
InChIInChI=1S/C7H14O2S/c1-3-10(9)6-4-5-7(2)8/h3-6H2,1-2H3
InChIKeyDSDMNZVSHTYFKQ-UHFFFAOYSA-N
XLogP1.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-propylsulfinylhexan-2-one
CID 64640281
ethene;hexan-2-one
CID 88765599
1-ethylsulfinylpropan-2-one
CID 45085426
methyl 8-ethylsulfinyloctanoate
CID 101238257
1-ethylsulfinylhexane
CID 18965294
1-ethylsulfinyloctane
CID 54141160
1-butylsulfinylpropan-2-one
CID 64640941
pentadecane-2,14-dione
CID 10966641
docosane-2,21-dione
CID 537416
4-(3-methoxypropylsulfinyl)butan-2-one
CID 64637023
methyl 3-ethylsulfinylpropanoate
CID 61303551
formaldehyde;octan-2-one
CID 22056500

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfinylpentan-2-one?
The IUPAC name of 5-ethylsulfinylpentan-2-one (CID 64640070) is 5-ethylsulfinylpentan-2-one.
What is the SMILES notation for 5-ethylsulfinylpentan-2-one?
The canonical SMILES for 5-ethylsulfinylpentan-2-one is CCS(=O)CCCC(C)=O.
What is the InChIKey of 5-ethylsulfinylpentan-2-one?
The InChIKey is DSDMNZVSHTYFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-3-10(9)6-4-5-7(2)8/h3-6H2,1-2H3.
What are the key properties of 5-ethylsulfinylpentan-2-one?
5-ethylsulfinylpentan-2-one has a molecular weight of 162.25 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfinylpentan-2-one is sourced from PubChem (CID 64640070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).