2-(2-ethylsulfanylpropan-2-yl)cyclohexan-1-one

C11H20OS — CID 12663571

IUPAC2-(2-ethylsulfanylpropan-2-yl)cyclohexan-1-one
SMILESCCSC(C)(C)C1CCCCC1=O
InChIInChI=1S/C11H20OS/c1-4-13-11(2,3)9-7-5-6-8-10(9)12/h9H,4-8H2,1-3H3
InChIKeyXYMWMGIOFQRWEE-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.28
Rot. Bonds3

About 2-(2-ethylsulfanylpropan-2-yl)cyclohexan-1-one

2-(2-ethylsulfanylpropan-2-yl)cyclohexan-1-one (PubChem CID 12663571) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-(2-ethylsulfanylpropan-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-ethylsulfanylpropan-2-yl)cyclohexan-1-one
PubChem CID12663571
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-(2-ethylsulfanylpropan-2-yl)cyclohexan-1-one
SMILESCCSC(C)(C)C1CCCCC1=O
InChIInChI=1S/C11H20OS/c1-4-13-11(2,3)9-7-5-6-8-10(9)12/h9H,4-8H2,1-3H3
InChIKeyXYMWMGIOFQRWEE-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 2-(2-ethylsulfanylpropan-2-yl)cyclohexan-1-one?
The IUPAC name of 2-(2-ethylsulfanylpropan-2-yl)cyclohexan-1-one (CID 12663571) is 2-(2-ethylsulfanylpropan-2-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(2-ethylsulfanylpropan-2-yl)cyclohexan-1-one?
The canonical SMILES for 2-(2-ethylsulfanylpropan-2-yl)cyclohexan-1-one is CCSC(C)(C)C1CCCCC1=O.
What is the InChIKey of 2-(2-ethylsulfanylpropan-2-yl)cyclohexan-1-one?
The InChIKey is XYMWMGIOFQRWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-4-13-11(2,3)9-7-5-6-8-10(9)12/h9H,4-8H2,1-3H3.
What are the key properties of 2-(2-ethylsulfanylpropan-2-yl)cyclohexan-1-one?
2-(2-ethylsulfanylpropan-2-yl)cyclohexan-1-one has a molecular weight of 200.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylpropan-2-yl)cyclohexan-1-one is sourced from PubChem (CID 12663571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).