6-propylsulfonylhexan-3-one

C9H18O3S — CID 106727029

IUPAC6-propylsulfonylhexan-3-one
SMILESCCCS(=O)(=O)CCCC(=O)CC
InChIInChI=1S/C9H18O3S/c1-3-7-13(11,12)8-5-6-9(10)4-2/h3-8H2,1-2H3
InChIKeySWNFFSGXJXGEEL-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.57
Rot. Bonds7

About 6-propylsulfonylhexan-3-one

6-propylsulfonylhexan-3-one (PubChem CID 106727029) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is 6-propylsulfonylhexan-3-one.

Molecular Properties

Compound Name6-propylsulfonylhexan-3-one
PubChem CID106727029
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name6-propylsulfonylhexan-3-one
SMILESCCCS(=O)(=O)CCCC(=O)CC
InChIInChI=1S/C9H18O3S/c1-3-7-13(11,12)8-5-6-9(10)4-2/h3-8H2,1-2H3
InChIKeySWNFFSGXJXGEEL-UHFFFAOYSA-N
XLogP1.57
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-methylbutylsulfonyl)hexan-3-one
CID 107767963
6-amino-1-propylsulfonylhexan-3-one
CID 106736174
1-propylsulfonylpropane
CID 11709
heptadecane-3,7,11,15-tetrone
CID 160942813
N-(3-propylsulfonylpropyl)propanamide
CID 146416714
6-ethylsulfonyl-1-propoxyhexan-3-one
CID 105103944
5-ethylsulfonyl-1-propoxypentan-2-one
CID 65097748
methane;undecane-3,9-dione
CID 158816586
6-cyclopentylsulfonylhexan-3-one
CID 106808577
tetracosane-3,13-dione
CID 143607999
decan-3-one;hydrochloride
CID 22446547
1-(cyclopropylamino)-5-ethylsulfonylpentan-2-one
CID 116555126

Frequently Asked Questions

What is the IUPAC name of 6-propylsulfonylhexan-3-one?
The IUPAC name of 6-propylsulfonylhexan-3-one (CID 106727029) is 6-propylsulfonylhexan-3-one.
What is the SMILES notation for 6-propylsulfonylhexan-3-one?
The canonical SMILES for 6-propylsulfonylhexan-3-one is CCCS(=O)(=O)CCCC(=O)CC.
What is the InChIKey of 6-propylsulfonylhexan-3-one?
The InChIKey is SWNFFSGXJXGEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c1-3-7-13(11,12)8-5-6-9(10)4-2/h3-8H2,1-2H3.
What are the key properties of 6-propylsulfonylhexan-3-one?
6-propylsulfonylhexan-3-one has a molecular weight of 206.31 g/mol, XLogP of 1.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propylsulfonylhexan-3-one is sourced from PubChem (CID 106727029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).