2-(2-methylpropylsulfanyl)cyclopentan-1-one

C9H16OS — CID 43412809

IUPAC2-(2-methylpropylsulfanyl)cyclopentan-1-one
SMILESCC(C)CSC1CCCC1=O
InChIInChI=1S/C9H16OS/c1-7(2)6-11-9-5-3-4-8(9)10/h7,9H,3-6H2,1-2H3
InChIKeyDFQLUGOCUDUJKE-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.50
Rot. Bonds3

About 2-(2-methylpropylsulfanyl)cyclopentan-1-one

2-(2-methylpropylsulfanyl)cyclopentan-1-one (PubChem CID 43412809) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)cyclopentan-1-one
PubChem CID43412809
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2-(2-methylpropylsulfanyl)cyclopentan-1-one
SMILESCC(C)CSC1CCCC1=O
InChIInChI=1S/C9H16OS/c1-7(2)6-11-9-5-3-4-8(9)10/h7,9H,3-6H2,1-2H3
InChIKeyDFQLUGOCUDUJKE-UHFFFAOYSA-N
XLogP2.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanyl)cyclopentan-1-one?
The IUPAC name of 2-(2-methylpropylsulfanyl)cyclopentan-1-one (CID 43412809) is 2-(2-methylpropylsulfanyl)cyclopentan-1-one.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)cyclopentan-1-one?
The canonical SMILES for 2-(2-methylpropylsulfanyl)cyclopentan-1-one is CC(C)CSC1CCCC1=O.
What is the InChIKey of 2-(2-methylpropylsulfanyl)cyclopentan-1-one?
The InChIKey is DFQLUGOCUDUJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-7(2)6-11-9-5-3-4-8(9)10/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfanyl)cyclopentan-1-one?
2-(2-methylpropylsulfanyl)cyclopentan-1-one has a molecular weight of 172.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)cyclopentan-1-one is sourced from PubChem (CID 43412809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).