3-[1-(cyclohexylidenemethoxy)ethyl]thiolane

C13H22OS — CID 176605234

IUPAC3-[1-(cyclohexylidenemethoxy)ethyl]thiolane
SMILESCC(OC=C1CCCCC1)C1CCSC1
InChIInChI=1S/C13H22OS/c1-11(13-7-8-15-10-13)14-9-12-5-3-2-4-6-12/h9,11,13H,2-8,10H2,1H3
InChIKeyZWFKEQNKJVLUIM-UHFFFAOYSA-N
MW226.38 g/mol
LogP3.99
Rot. Bonds3

About 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane

3-[1-(cyclohexylidenemethoxy)ethyl]thiolane (PubChem CID 176605234) has the molecular formula C13H22OS and a molecular weight of 226.38 g/mol. Its IUPAC name is 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane.

Molecular Properties

Compound Name3-[1-(cyclohexylidenemethoxy)ethyl]thiolane
PubChem CID176605234
Molecular FormulaC13H22OS
Molecular Weight226.38 g/mol
Exact Mass226.14
IUPAC Name3-[1-(cyclohexylidenemethoxy)ethyl]thiolane
SMILESCC(OC=C1CCCCC1)C1CCSC1
InChIInChI=1S/C13H22OS/c1-11(13-7-8-15-10-13)14-9-12-5-3-2-4-6-12/h9,11,13H,2-8,10H2,1H3
InChIKeyZWFKEQNKJVLUIM-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane with MolForge

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

Launch Full Analysis

Related Compounds

3-[3-(Cyclohexylidenemethoxy)propyl]thiolane
CID 176602921
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane
CID 176602956
2-[1-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603034
4-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176603063
3-[1-(Cyclohexylidenemethoxy)ethyl]thietane
CID 176603095
3-[2-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603151
3-[1-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603178
3-(Cyclohexylidenemethoxymethyl)-3-ethylthiolane
CID 176603399
4-[1-(Cyclohexylidenemethoxy)ethyl]thiane
CID 176603618
3-[1-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603619
3-[1-(Cyclohexylidenemethoxy)ethyl]thiolane 1,1-dioxide
CID 176603697
3-[2-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603805

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane?
The IUPAC name of 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane (CID 176605234) is 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane.
What is the SMILES notation for 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane?
The canonical SMILES for 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane is CC(OC=C1CCCCC1)C1CCSC1.
What is the InChIKey of 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane?
The InChIKey is ZWFKEQNKJVLUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OS/c1-11(13-7-8-15-10-13)14-9-12-5-3-2-4-6-12/h9,11,13H,2-8,10H2,1H3.
What are the key properties of 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane?
3-[1-(cyclohexylidenemethoxy)ethyl]thiolane has a molecular weight of 226.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylidenemethoxy)ethyl]thiolane is sourced from PubChem (CID 176605234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).