3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one

C11H18O3S — CID 106497199

IUPAC3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one
SMILESO=C1CCCC(S(=O)CC2CCCO2)C1
InChIInChI=1S/C11H18O3S/c12-9-3-1-5-11(7-9)15(13)8-10-4-2-6-14-10/h10-11H,1-8H2
InChIKeyAKVSZBGZCNKALN-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.43
Rot. Bonds3

About 3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one

3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one (PubChem CID 106497199) has the molecular formula C11H18O3S and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one
PubChem CID106497199
Molecular FormulaC11H18O3S
Molecular Weight230.33 g/mol
Exact Mass230.10
IUPAC Name3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one
SMILESO=C1CCCC(S(=O)CC2CCCO2)C1
InChIInChI=1S/C11H18O3S/c12-9-3-1-5-11(7-9)15(13)8-10-4-2-6-14-10/h10-11H,1-8H2
InChIKeyAKVSZBGZCNKALN-UHFFFAOYSA-N
XLogP1.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-propylsulfinylcyclohexan-1-one
CID 64725064
3-(oxan-2-ylmethoxy)cyclohexan-1-one
CID 79618470
3-(oxolan-2-ylmethylsulfanyl)cyclopentan-1-one
CID 106495095
3-(oxolan-2-ylmethoxy)cyclopentan-1-one
CID 79643554
3-[3-(oxolan-2-yl)propyl]cyclopentan-1-one
CID 65165417
3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one
CID 114236355
N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
CID 106496189
2-(oxolan-2-ylmethylsulfonyl)cyclopentan-1-one
CID 106497045
N,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine
CID 106496237
5-(oxolan-2-ylmethylsulfinyl)pentanenitrile
CID 103579656
1-(oxolan-2-ylmethylsulfinyl)butan-2-one
CID 106497232
2-methyl-3-[2-(oxolan-2-yl)ethyl]cyclopentan-1-one
CID 65165695

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one?
The IUPAC name of 3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one (CID 106497199) is 3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one.
What is the SMILES notation for 3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one?
The canonical SMILES for 3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one is O=C1CCCC(S(=O)CC2CCCO2)C1.
What is the InChIKey of 3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one?
The InChIKey is AKVSZBGZCNKALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3S/c12-9-3-1-5-11(7-9)15(13)8-10-4-2-6-14-10/h10-11H,1-8H2.
What are the key properties of 3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one?
3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one has a molecular weight of 230.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one is sourced from PubChem (CID 106497199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).