1-cyclopentylsulfanylpentan-2-one

C10H18OS — CID 63115613

IUPAC1-cyclopentylsulfanylpentan-2-one
SMILESCCCC(=O)CSC1CCCC1
InChIInChI=1S/C10H18OS/c1-2-5-9(11)8-12-10-6-3-4-7-10/h10H,2-8H2,1H3
InChIKeyDVJYPULNGPTQFK-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.03
Rot. Bonds5

About 1-cyclopentylsulfanylpentan-2-one

1-cyclopentylsulfanylpentan-2-one (PubChem CID 63115613) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-cyclopentylsulfanylpentan-2-one.

Molecular Properties

Compound Name1-cyclopentylsulfanylpentan-2-one
PubChem CID63115613
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name1-cyclopentylsulfanylpentan-2-one
SMILESCCCC(=O)CSC1CCCC1
InChIInChI=1S/C10H18OS/c1-2-5-9(11)8-12-10-6-3-4-7-10/h10H,2-8H2,1H3
InChIKeyDVJYPULNGPTQFK-UHFFFAOYSA-N
XLogP3.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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 1-cyclopentylsulfanylpentan-2-one?
The IUPAC name of 1-cyclopentylsulfanylpentan-2-one (CID 63115613) is 1-cyclopentylsulfanylpentan-2-one.
What is the SMILES notation for 1-cyclopentylsulfanylpentan-2-one?
The canonical SMILES for 1-cyclopentylsulfanylpentan-2-one is CCCC(=O)CSC1CCCC1.
What is the InChIKey of 1-cyclopentylsulfanylpentan-2-one?
The InChIKey is DVJYPULNGPTQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-5-9(11)8-12-10-6-3-4-7-10/h10H,2-8H2,1H3.
What are the key properties of 1-cyclopentylsulfanylpentan-2-one?
1-cyclopentylsulfanylpentan-2-one has a molecular weight of 186.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanylpentan-2-one is sourced from PubChem (CID 63115613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).