propan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate

C10H18O4S — CID 106495212

IUPACpropan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate
SMILESCC(C)OC(=O)CS(=O)CC1CCCO1
InChIInChI=1S/C10H18O4S/c1-8(2)14-10(11)7-15(12)6-9-4-3-5-13-9/h8-9H,3-7H2,1-2H3
InChIKeyMPCSASIKWFIYLM-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.87
Rot. Bonds5

About propan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate

propan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate (PubChem CID 106495212) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is propan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate
PubChem CID106495212
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Namepropan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate
SMILESCC(C)OC(=O)CS(=O)CC1CCCO1
InChIInChI=1S/C10H18O4S/c1-8(2)14-10(11)7-15(12)6-9-4-3-5-13-9/h8-9H,3-7H2,1-2H3
InChIKeyMPCSASIKWFIYLM-UHFFFAOYSA-N
XLogP0.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-2-ylmethylsulfinyl)butan-2-one
CID 106497232
1-(oxolan-2-ylmethylsulfinyl)pentan-2-one
CID 106497160
methyl 3-(oxolan-2-ylmethylsulfinyl)butanoate
CID 66115323
dipropan-2-yl 2-(oxolan-2-ylmethyl)propanedioate
CID 103972667
2-methyl-3-(oxan-2-ylmethylsulfinyl)propanoic acid
CID 64914351
N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine
CID 106496296
1-[2-(oxolan-2-ylmethylsulfinyl)acetyl]piperidine-4-carboxylic acid
CID 106495178
2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid
CID 65166400
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
5-(oxolan-2-ylmethylsulfinyl)pentanenitrile
CID 103579656
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
methyl 2-methyl-3-(oxolan-2-ylmethylamino)butanoate
CID 79391941

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate?
The IUPAC name of propan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate (CID 106495212) is propan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate.
What is the SMILES notation for propan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate?
The canonical SMILES for propan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate is CC(C)OC(=O)CS(=O)CC1CCCO1.
What is the InChIKey of propan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate?
The InChIKey is MPCSASIKWFIYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-8(2)14-10(11)7-15(12)6-9-4-3-5-13-9/h8-9H,3-7H2,1-2H3.
What are the key properties of propan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate?
propan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate has a molecular weight of 234.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(oxolan-2-ylmethylsulfinyl)acetate is sourced from PubChem (CID 106495212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).