1-(oxolan-2-ylmethylsulfinyl)pentan-2-one

C10H18O3S — CID 106497160

IUPAC1-(oxolan-2-ylmethylsulfinyl)pentan-2-one
SMILESCCCC(=O)CS(=O)CC1CCCO1
InChIInChI=1S/C10H18O3S/c1-2-4-9(11)7-14(12)8-10-5-3-6-13-10/h10H,2-8H2,1H3
InChIKeyFWOYDYOWLIZFKT-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.28
Rot. Bonds6

About 1-(oxolan-2-ylmethylsulfinyl)pentan-2-one

1-(oxolan-2-ylmethylsulfinyl)pentan-2-one (PubChem CID 106497160) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethylsulfinyl)pentan-2-one.

Molecular Properties

Compound Name1-(oxolan-2-ylmethylsulfinyl)pentan-2-one
PubChem CID106497160
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name1-(oxolan-2-ylmethylsulfinyl)pentan-2-one
SMILESCCCC(=O)CS(=O)CC1CCCO1
InChIInChI=1S/C10H18O3S/c1-2-4-9(11)7-14(12)8-10-5-3-6-13-10/h10H,2-8H2,1H3
InChIKeyFWOYDYOWLIZFKT-UHFFFAOYSA-N
XLogP1.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methyloxolan-3-yl)sulfanylbutane-2,3-dione
CID 19373754
4-(2-Methyl-3-tetrahydrofuryl-thio)-pentan-2-one
CID 19878871
4-(2-Methyloxolan-2-yl)sulfanylpentan-2-one
CID 19878873
4-(2-Methyloxolan-3-yl)sulfanylpentane-2,3-dione
CID 57081128
Propan-2-yl 5-propan-2-ylsulfinylpentanoate
CID 58234203
4-[(2S,3R)-2-methyloxolan-3-yl]sulfanylpentane-2,3-dione
CID 145822990
2-(Propan-2-yloxymethyl)thiolane 1-oxide
CID 156869144
(2S)-2-[[(S)-tert-butylsulfinyl]methyl]oxolane
CID 166858859
(2R)-2-(tert-butylsulfinylmethyl)oxolane
CID 166858860
Methyl 3-(oxolan-2-ylmethylsulfonyl)butanoate
CID 64247416
5-(3-Methoxypropylsulfinyl)pentan-2-one
CID 64637213
1-(3-Methoxypropylsulfinyl)pentan-2-one
CID 64637790

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethylsulfinyl)pentan-2-one?
The IUPAC name of 1-(oxolan-2-ylmethylsulfinyl)pentan-2-one (CID 106497160) is 1-(oxolan-2-ylmethylsulfinyl)pentan-2-one.
What is the SMILES notation for 1-(oxolan-2-ylmethylsulfinyl)pentan-2-one?
The canonical SMILES for 1-(oxolan-2-ylmethylsulfinyl)pentan-2-one is CCCC(=O)CS(=O)CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethylsulfinyl)pentan-2-one?
The InChIKey is FWOYDYOWLIZFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-2-4-9(11)7-14(12)8-10-5-3-6-13-10/h10H,2-8H2,1H3.
What are the key properties of 1-(oxolan-2-ylmethylsulfinyl)pentan-2-one?
1-(oxolan-2-ylmethylsulfinyl)pentan-2-one has a molecular weight of 218.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethylsulfinyl)pentan-2-one is sourced from PubChem (CID 106497160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).