(2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one

C14H24OS — CID 139078634

IUPAC(2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one
SMILESCCSC1([C@@H]2CCCCC2=O)CCCCC1
InChIInChI=1S/C14H24OS/c1-2-16-14(10-6-3-7-11-14)12-8-4-5-9-13(12)15/h12H,2-11H2,1H3/t12-/m1/s1
InChIKeyMATUERLJFZFESN-GFCCVEGCSA-N
MW240.41 g/mol
LogP4.20
Rot. Bonds3

About (2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one

(2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one (PubChem CID 139078634) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is (2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one
PubChem CID139078634
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name(2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one
SMILESCCSC1([C@@H]2CCCCC2=O)CCCCC1
InChIInChI=1S/C14H24OS/c1-2-16-14(10-6-3-7-11-14)12-8-4-5-9-13(12)15/h12H,2-11H2,1H3/t12-/m1/s1
InChIKeyMATUERLJFZFESN-GFCCVEGCSA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one?
The IUPAC name of (2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one (CID 139078634) is (2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one.
What is the SMILES notation for (2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one?
The canonical SMILES for (2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one is CCSC1([C@@H]2CCCCC2=O)CCCCC1.
What is the InChIKey of (2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one?
The InChIKey is MATUERLJFZFESN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24OS/c1-2-16-14(10-6-3-7-11-14)12-8-4-5-9-13(12)15/h12H,2-11H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one?
(2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one has a molecular weight of 240.41 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one is sourced from PubChem (CID 139078634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).