3-cyclohex-2-en-1-ylsulfanyl-2-methyloxolane

C11H18OS — CID 130678529

IUPAC3-cyclohex-2-en-1-ylsulfanyl-2-methyloxolane
SMILESCC1OCCC1SC1C=CCCC1
InChIInChI=1S/C11H18OS/c1-9-11(7-8-12-9)13-10-5-3-2-4-6-10/h3,5,9-11H,2,4,6-8H2,1H3
InChIKeyAMPAJOLCPDTTHU-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.01
Rot. Bonds2

About 3-cyclohex-2-en-1-ylsulfanyl-2-methyloxolane

3-cyclohex-2-en-1-ylsulfanyl-2-methyloxolane (PubChem CID 130678529) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-ylsulfanyl-2-methyloxolane.

Molecular Properties

Compound Name3-cyclohex-2-en-1-ylsulfanyl-2-methyloxolane
PubChem CID130678529
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name3-cyclohex-2-en-1-ylsulfanyl-2-methyloxolane
SMILESCC1OCCC1SC1C=CCCC1
InChIInChI=1S/C11H18OS/c1-9-11(7-8-12-9)13-10-5-3-2-4-6-10/h3,5,9-11H,2,4,6-8H2,1H3
InChIKeyAMPAJOLCPDTTHU-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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'}

Analyze 3-cyclohex-2-en-1-ylsulfanyl-2-methyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-2-en-1-ylsulfanyl-2-methyloxolane?
The IUPAC name of 3-cyclohex-2-en-1-ylsulfanyl-2-methyloxolane (CID 130678529) is 3-cyclohex-2-en-1-ylsulfanyl-2-methyloxolane.
What is the SMILES notation for 3-cyclohex-2-en-1-ylsulfanyl-2-methyloxolane?
The canonical SMILES for 3-cyclohex-2-en-1-ylsulfanyl-2-methyloxolane is CC1OCCC1SC1C=CCCC1.
What is the InChIKey of 3-cyclohex-2-en-1-ylsulfanyl-2-methyloxolane?
The InChIKey is AMPAJOLCPDTTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-9-11(7-8-12-9)13-10-5-3-2-4-6-10/h3,5,9-11H,2,4,6-8H2,1H3.
What are the key properties of 3-cyclohex-2-en-1-ylsulfanyl-2-methyloxolane?
3-cyclohex-2-en-1-ylsulfanyl-2-methyloxolane has a molecular weight of 198.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-2-en-1-ylsulfanyl-2-methyloxolane is sourced from PubChem (CID 130678529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).