3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one

C10H18OS — CID 116538521

IUPAC3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one
SMILESCCSCCC1(C)CCC(=O)C1
InChIInChI=1S/C10H18OS/c1-3-12-7-6-10(2)5-4-9(11)8-10/h3-8H2,1-2H3
InChIKeyOFSDKNZSGPANKW-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.89
Rot. Bonds4

About 3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one

3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one (PubChem CID 116538521) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one
PubChem CID116538521
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one
SMILESCCSCCC1(C)CCC(=O)C1
InChIInChI=1S/C10H18OS/c1-3-12-7-6-10(2)5-4-9(11)8-10/h3-8H2,1-2H3
InChIKeyOFSDKNZSGPANKW-UHFFFAOYSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-methyl-3-propylcyclopentan-1-one
CID 171036794
3-methyl-3-(3-methylsulfanylpropyl)cyclopentan-1-one
CID 116538551
3-(2-ethylsulfonylethyl)-3-methylcyclopentan-1-one
CID 106732194
(3R)-3-methyl-3-propylcyclohexan-1-one
CID 131183126
3-methyl-3-prop-2-enylcyclopentan-1-one
CID 10034694
3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one
CID 25260242
3-(cyclopenten-1-ylmethyl)-3-methylcyclopentan-1-one
CID 130987784
3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one
CID 116538402
3-[(1-ethylimidazol-2-yl)methyl]-3-methylcyclopentan-1-one
CID 116538582
3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-one
CID 116538466
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-one
CID 116538621
(1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde
CID 11007903

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one?
The IUPAC name of 3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one (CID 116538521) is 3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one.
What is the SMILES notation for 3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one?
The canonical SMILES for 3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one is CCSCCC1(C)CCC(=O)C1.
What is the InChIKey of 3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one?
The InChIKey is OFSDKNZSGPANKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-3-12-7-6-10(2)5-4-9(11)8-10/h3-8H2,1-2H3.
What are the key properties of 3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one?
3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one has a molecular weight of 186.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfanylethyl)-3-methylcyclopentan-1-one is sourced from PubChem (CID 116538521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).