3-ethyl-1-(thiolan-2-yl)pentan-1-one

C11H20OS — CID 82920307

IUPAC3-ethyl-1-(thiolan-2-yl)pentan-1-one
SMILESCCC(CC)CC(=O)C1CCCS1
InChIInChI=1S/C11H20OS/c1-3-9(4-2)8-10(12)11-6-5-7-13-11/h9,11H,3-8H2,1-2H3
InChIKeyFVEJIIMOHKFDSZ-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.28
Rot. Bonds5

About 3-ethyl-1-(thiolan-2-yl)pentan-1-one

3-ethyl-1-(thiolan-2-yl)pentan-1-one (PubChem CID 82920307) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-ethyl-1-(thiolan-2-yl)pentan-1-one.

Molecular Properties

Compound Name3-ethyl-1-(thiolan-2-yl)pentan-1-one
PubChem CID82920307
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name3-ethyl-1-(thiolan-2-yl)pentan-1-one
SMILESCCC(CC)CC(=O)C1CCCS1
InChIInChI=1S/C11H20OS/c1-3-9(4-2)8-10(12)11-6-5-7-13-11/h9,11H,3-8H2,1-2H3
InChIKeyFVEJIIMOHKFDSZ-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(thiolan-2-yl)pentan-1-one?
The IUPAC name of 3-ethyl-1-(thiolan-2-yl)pentan-1-one (CID 82920307) is 3-ethyl-1-(thiolan-2-yl)pentan-1-one.
What is the SMILES notation for 3-ethyl-1-(thiolan-2-yl)pentan-1-one?
The canonical SMILES for 3-ethyl-1-(thiolan-2-yl)pentan-1-one is CCC(CC)CC(=O)C1CCCS1.
What is the InChIKey of 3-ethyl-1-(thiolan-2-yl)pentan-1-one?
The InChIKey is FVEJIIMOHKFDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-3-9(4-2)8-10(12)11-6-5-7-13-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-1-(thiolan-2-yl)pentan-1-one?
3-ethyl-1-(thiolan-2-yl)pentan-1-one has a molecular weight of 200.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(thiolan-2-yl)pentan-1-one is sourced from PubChem (CID 82920307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).