3-(2-cyclobutylideneethylsulfanyl)-2-methyloxolane

C11H18OS — CID 130831095

IUPAC3-(2-cyclobutylideneethylsulfanyl)-2-methyloxolane
SMILESCC1OCCC1SCC=C1CCC1
InChIInChI=1S/C11H18OS/c1-9-11(5-7-12-9)13-8-6-10-3-2-4-10/h6,9,11H,2-5,7-8H2,1H3
InChIKeyRDTGEWOIKGDLGS-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.01
Rot. Bonds3

About 3-(2-cyclobutylideneethylsulfanyl)-2-methyloxolane

3-(2-cyclobutylideneethylsulfanyl)-2-methyloxolane (PubChem CID 130831095) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 3-(2-cyclobutylideneethylsulfanyl)-2-methyloxolane.

Molecular Properties

Compound Name3-(2-cyclobutylideneethylsulfanyl)-2-methyloxolane
PubChem CID130831095
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name3-(2-cyclobutylideneethylsulfanyl)-2-methyloxolane
SMILESCC1OCCC1SCC=C1CCC1
InChIInChI=1S/C11H18OS/c1-9-11(5-7-12-9)13-8-6-10-3-2-4-10/h6,9,11H,2-5,7-8H2,1H3
InChIKeyRDTGEWOIKGDLGS-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylideneethylsulfanyl)-2-methyloxolane?
The IUPAC name of 3-(2-cyclobutylideneethylsulfanyl)-2-methyloxolane (CID 130831095) is 3-(2-cyclobutylideneethylsulfanyl)-2-methyloxolane.
What is the SMILES notation for 3-(2-cyclobutylideneethylsulfanyl)-2-methyloxolane?
The canonical SMILES for 3-(2-cyclobutylideneethylsulfanyl)-2-methyloxolane is CC1OCCC1SCC=C1CCC1.
What is the InChIKey of 3-(2-cyclobutylideneethylsulfanyl)-2-methyloxolane?
The InChIKey is RDTGEWOIKGDLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-9-11(5-7-12-9)13-8-6-10-3-2-4-10/h6,9,11H,2-5,7-8H2,1H3.
What are the key properties of 3-(2-cyclobutylideneethylsulfanyl)-2-methyloxolane?
3-(2-cyclobutylideneethylsulfanyl)-2-methyloxolane has a molecular weight of 198.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylideneethylsulfanyl)-2-methyloxolane is sourced from PubChem (CID 130831095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).