2-[1-(cyclohexylidenemethoxy)ethyl]thiirane

C11H18OS — CID 176604874

IUPAC2-[1-(cyclohexylidenemethoxy)ethyl]thiirane
SMILESCC(OC=C1CCCCC1)C1CS1
InChIInChI=1S/C11H18OS/c1-9(11-8-13-11)12-7-10-5-3-2-4-6-10/h7,9,11H,2-6,8H2,1H3
InChIKeyVZYFZWFOXJYKDS-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.35
Rot. Bonds3

About 2-[1-(cyclohexylidenemethoxy)ethyl]thiirane

2-[1-(cyclohexylidenemethoxy)ethyl]thiirane (PubChem CID 176604874) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-[1-(cyclohexylidenemethoxy)ethyl]thiirane.

Molecular Properties

Compound Name2-[1-(cyclohexylidenemethoxy)ethyl]thiirane
PubChem CID176604874
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name2-[1-(cyclohexylidenemethoxy)ethyl]thiirane
SMILESCC(OC=C1CCCCC1)C1CS1
InChIInChI=1S/C11H18OS/c1-9(11-8-13-11)12-7-10-5-3-2-4-6-10/h7,9,11H,2-6,8H2,1H3
InChIKeyVZYFZWFOXJYKDS-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(cyclohexylidenemethoxy)ethyl]thiirane 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

2-(Cyclohexylidenemethoxymethyl)-2-methylthiirane
CID 176602948
2-[1-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603034
3-[1-(Cyclohexylidenemethoxy)ethyl]thietane
CID 176603095
2-[1-(Cyclopentylidenemethoxy)ethyl]thiirane
CID 176603355
2-[2-(Cyclohexylidenemethoxy)ethyl]thiirane
CID 176603366
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiirane
CID 176603466
2-[1-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane
CID 176603658
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiirane
CID 176603687
2-[1-(Cyclohexylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603784
2-(Cyclohexylidenemethoxymethyl)-2-methylthiirane 1-oxide
CID 176604789
2-[3-(Cyclohexylidenemethoxy)propyl]thiirane
CID 176605027
2-(Cyclohexylidenemethoxymethyl)thiirane
CID 176605324

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylidenemethoxy)ethyl]thiirane?
The IUPAC name of 2-[1-(cyclohexylidenemethoxy)ethyl]thiirane (CID 176604874) is 2-[1-(cyclohexylidenemethoxy)ethyl]thiirane.
What is the SMILES notation for 2-[1-(cyclohexylidenemethoxy)ethyl]thiirane?
The canonical SMILES for 2-[1-(cyclohexylidenemethoxy)ethyl]thiirane is CC(OC=C1CCCCC1)C1CS1.
What is the InChIKey of 2-[1-(cyclohexylidenemethoxy)ethyl]thiirane?
The InChIKey is VZYFZWFOXJYKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-9(11-8-13-11)12-7-10-5-3-2-4-6-10/h7,9,11H,2-6,8H2,1H3.
What are the key properties of 2-[1-(cyclohexylidenemethoxy)ethyl]thiirane?
2-[1-(cyclohexylidenemethoxy)ethyl]thiirane has a molecular weight of 198.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylidenemethoxy)ethyl]thiirane is sourced from PubChem (CID 176604874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).