2-methylsulfanyl-1-(2,4,5-trimethyloxolan-3-yl)ethanone

C10H18O2S — CID 65155536

IUPAC2-methylsulfanyl-1-(2,4,5-trimethyloxolan-3-yl)ethanone
SMILESCSCC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C10H18O2S/c1-6-7(2)12-8(3)10(6)9(11)5-13-4/h6-8,10H,5H2,1-4H3
InChIKeyKROGWALLLFKBEL-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.98
Rot. Bonds3

About 2-methylsulfanyl-1-(2,4,5-trimethyloxolan-3-yl)ethanone

2-methylsulfanyl-1-(2,4,5-trimethyloxolan-3-yl)ethanone (PubChem CID 65155536) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-methylsulfanyl-1-(2,4,5-trimethyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-methylsulfanyl-1-(2,4,5-trimethyloxolan-3-yl)ethanone
PubChem CID65155536
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name2-methylsulfanyl-1-(2,4,5-trimethyloxolan-3-yl)ethanone
SMILESCSCC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C10H18O2S/c1-6-7(2)12-8(3)10(6)9(11)5-13-4/h6-8,10H,5H2,1-4H3
InChIKeyKROGWALLLFKBEL-UHFFFAOYSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-(2,4,5-trimethyloxolan-3-yl)ethanone?
The IUPAC name of 2-methylsulfanyl-1-(2,4,5-trimethyloxolan-3-yl)ethanone (CID 65155536) is 2-methylsulfanyl-1-(2,4,5-trimethyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-methylsulfanyl-1-(2,4,5-trimethyloxolan-3-yl)ethanone?
The canonical SMILES for 2-methylsulfanyl-1-(2,4,5-trimethyloxolan-3-yl)ethanone is CSCC(=O)C1C(C)OC(C)C1C.
What is the InChIKey of 2-methylsulfanyl-1-(2,4,5-trimethyloxolan-3-yl)ethanone?
The InChIKey is KROGWALLLFKBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-6-7(2)12-8(3)10(6)9(11)5-13-4/h6-8,10H,5H2,1-4H3.
What are the key properties of 2-methylsulfanyl-1-(2,4,5-trimethyloxolan-3-yl)ethanone?
2-methylsulfanyl-1-(2,4,5-trimethyloxolan-3-yl)ethanone has a molecular weight of 202.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-(2,4,5-trimethyloxolan-3-yl)ethanone is sourced from PubChem (CID 65155536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).