cyclopentyl 2-methylsulfanylpropanoate

C9H16O2S — CID 20798665

IUPACcyclopentyl 2-methylsulfanylpropanoate
SMILESCSC(C)C(=O)OC1CCCC1
InChIInChI=1S/C9H16O2S/c1-7(12-2)9(10)11-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKeyQYSXNIJDDYJGHC-UHFFFAOYSA-N
MW188.29 g/mol
LogP2.22
Rot. Bonds3

About cyclopentyl 2-methylsulfanylpropanoate

cyclopentyl 2-methylsulfanylpropanoate (PubChem CID 20798665) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is cyclopentyl 2-methylsulfanylpropanoate.

Molecular Properties

Compound Namecyclopentyl 2-methylsulfanylpropanoate
PubChem CID20798665
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Namecyclopentyl 2-methylsulfanylpropanoate
SMILESCSC(C)C(=O)OC1CCCC1
InChIInChI=1S/C9H16O2S/c1-7(12-2)9(10)11-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKeyQYSXNIJDDYJGHC-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-methylsulfanylpropanoate?
The IUPAC name of cyclopentyl 2-methylsulfanylpropanoate (CID 20798665) is cyclopentyl 2-methylsulfanylpropanoate.
What is the SMILES notation for cyclopentyl 2-methylsulfanylpropanoate?
The canonical SMILES for cyclopentyl 2-methylsulfanylpropanoate is CSC(C)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 2-methylsulfanylpropanoate?
The InChIKey is QYSXNIJDDYJGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c1-7(12-2)9(10)11-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of cyclopentyl 2-methylsulfanylpropanoate?
cyclopentyl 2-methylsulfanylpropanoate has a molecular weight of 188.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-methylsulfanylpropanoate is sourced from PubChem (CID 20798665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).