4-cyclopentylsulfanylpentan-2-one

C10H18OS — CID 64728269

IUPAC4-cyclopentylsulfanylpentan-2-one
SMILESCC(=O)CC(C)SC1CCCC1
InChIInChI=1S/C10H18OS/c1-8(11)7-9(2)12-10-5-3-4-6-10/h9-10H,3-7H2,1-2H3
InChIKeyBRYQGPNTQLFIIC-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.03
Rot. Bonds4

About 4-cyclopentylsulfanylpentan-2-one

4-cyclopentylsulfanylpentan-2-one (PubChem CID 64728269) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 4-cyclopentylsulfanylpentan-2-one.

Molecular Properties

Compound Name4-cyclopentylsulfanylpentan-2-one
PubChem CID64728269
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name4-cyclopentylsulfanylpentan-2-one
SMILESCC(=O)CC(C)SC1CCCC1
InChIInChI=1S/C10H18OS/c1-8(11)7-9(2)12-10-5-3-4-6-10/h9-10H,3-7H2,1-2H3
InChIKeyBRYQGPNTQLFIIC-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanylpentan-2-one?
The IUPAC name of 4-cyclopentylsulfanylpentan-2-one (CID 64728269) is 4-cyclopentylsulfanylpentan-2-one.
What is the SMILES notation for 4-cyclopentylsulfanylpentan-2-one?
The canonical SMILES for 4-cyclopentylsulfanylpentan-2-one is CC(=O)CC(C)SC1CCCC1.
What is the InChIKey of 4-cyclopentylsulfanylpentan-2-one?
The InChIKey is BRYQGPNTQLFIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-8(11)7-9(2)12-10-5-3-4-6-10/h9-10H,3-7H2,1-2H3.
What are the key properties of 4-cyclopentylsulfanylpentan-2-one?
4-cyclopentylsulfanylpentan-2-one has a molecular weight of 186.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanylpentan-2-one is sourced from PubChem (CID 64728269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).