2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentan-1-one

C12H20O2S — CID 107752429

IUPAC2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentan-1-one
SMILESCC1OCCC1SCCC1CCCC1=O
InChIInChI=1S/C12H20O2S/c1-9-12(5-7-14-9)15-8-6-10-3-2-4-11(10)13/h9-10,12H,2-8H2,1H3
InChIKeyAXZJJEZMFHRPNJ-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.66
Rot. Bonds4

About 2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentan-1-one

2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentan-1-one (PubChem CID 107752429) has the molecular formula C12H20O2S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentan-1-one
PubChem CID107752429
Molecular FormulaC12H20O2S
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentan-1-one
SMILESCC1OCCC1SCCC1CCCC1=O
InChIInChI=1S/C12H20O2S/c1-9-12(5-7-14-9)15-8-6-10-3-2-4-11(10)13/h9-10,12H,2-8H2,1H3
InChIKeyAXZJJEZMFHRPNJ-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentan-1-one (CID 107752429) is 2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentan-1-one is CC1OCCC1SCCC1CCCC1=O.
What is the InChIKey of 2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentan-1-one?
The InChIKey is AXZJJEZMFHRPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2S/c1-9-12(5-7-14-9)15-8-6-10-3-2-4-11(10)13/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentan-1-one?
2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentan-1-one has a molecular weight of 228.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentan-1-one is sourced from PubChem (CID 107752429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).