3-methyl-3-methylsulfanylcyclopentan-1-one

C7H12OS — CID 59203496

IUPAC3-methyl-3-methylsulfanylcyclopentan-1-one
SMILESCSC1(C)CCC(=O)C1
InChIInChI=1S/C7H12OS/c1-7(9-2)4-3-6(8)5-7/h3-5H2,1-2H3
InChIKeyJJXJVEHHWSIFAM-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.86
Rot. Bonds1

About 3-methyl-3-methylsulfanylcyclopentan-1-one

3-methyl-3-methylsulfanylcyclopentan-1-one (PubChem CID 59203496) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 3-methyl-3-methylsulfanylcyclopentan-1-one.

Molecular Properties

Compound Name3-methyl-3-methylsulfanylcyclopentan-1-one
PubChem CID59203496
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name3-methyl-3-methylsulfanylcyclopentan-1-one
SMILESCSC1(C)CCC(=O)C1
InChIInChI=1S/C7H12OS/c1-7(9-2)4-3-6(8)5-7/h3-5H2,1-2H3
InChIKeyJJXJVEHHWSIFAM-UHFFFAOYSA-N
XLogP1.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-4-(methylthio)-2-pentanone
CID 4682590
2-[Bis(methylsulfanyl)methyl]cyclopentan-1-one
CID 13515901
3-Methyl-2-methylsulfanylcyclopentan-1-one
CID 12861274
2-(Methylthiomethyl)cyclopentan-1-one
CID 70257318
S-methyl cyclopentanecarbothioate
CID 87937935
Methyl 2-oxocyclopentanedithiocarboxylate
CID 12777697
Methyl 2-(3-oxocyclopentyl)ethanedithioate
CID 13512726
2-Methyl-2-methylsulfanylcyclopentan-1-one;yttrium
CID 134860180
S-methyl 3-methyl-2-oxocyclopentane-1-carbothioate
CID 134917878
(2-Cyclopentyl-2-oxoethyl)-dimethylsulfanium
CID 17822149
1-(Tetrahydro-3-methyl-2-thienyl)ethanone
CID 44558386
1-Cyclopentyl-2-methylsulfanylethanone
CID 62692757

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-methylsulfanylcyclopentan-1-one?
The IUPAC name of 3-methyl-3-methylsulfanylcyclopentan-1-one (CID 59203496) is 3-methyl-3-methylsulfanylcyclopentan-1-one.
What is the SMILES notation for 3-methyl-3-methylsulfanylcyclopentan-1-one?
The canonical SMILES for 3-methyl-3-methylsulfanylcyclopentan-1-one is CSC1(C)CCC(=O)C1.
What is the InChIKey of 3-methyl-3-methylsulfanylcyclopentan-1-one?
The InChIKey is JJXJVEHHWSIFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-7(9-2)4-3-6(8)5-7/h3-5H2,1-2H3.
What are the key properties of 3-methyl-3-methylsulfanylcyclopentan-1-one?
3-methyl-3-methylsulfanylcyclopentan-1-one has a molecular weight of 144.24 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-methylsulfanylcyclopentan-1-one is sourced from PubChem (CID 59203496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).