1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone

C8H14O2S — CID 79760065

IUPAC1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)C1CCOC1C
InChIInChI=1S/C8H14O2S/c1-6-7(3-4-10-6)8(9)5-11-2/h6-7H,3-5H2,1-2H3
InChIKeyGYTFECNQQYTBPQ-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.34
Rot. Bonds3

About 1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone

1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone (PubChem CID 79760065) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone
PubChem CID79760065
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)C1CCOC1C
InChIInChI=1S/C8H14O2S/c1-6-7(3-4-10-6)8(9)5-11-2/h6-7H,3-5H2,1-2H3
InChIKeyGYTFECNQQYTBPQ-UHFFFAOYSA-N
XLogP1.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone?
The IUPAC name of 1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone (CID 79760065) is 1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone is CSCC(=O)C1CCOC1C.
What is the InChIKey of 1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone?
The InChIKey is GYTFECNQQYTBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-6-7(3-4-10-6)8(9)5-11-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone?
1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone has a molecular weight of 174.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone is sourced from PubChem (CID 79760065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).