2-[2-(cyclohexylidenemethoxy)ethyl]thiirane

C11H18OS — CID 176603366

IUPAC2-[2-(cyclohexylidenemethoxy)ethyl]thiirane
SMILESC(OCCC1CS1)=C1CCCCC1
InChIInChI=1S/C11H18OS/c1-2-4-10(5-3-1)8-12-7-6-11-9-13-11/h8,11H,1-7,9H2
InChIKeyRLGIHUWTDSRHRC-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.36
Rot. Bonds4

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

2-[2-(cyclohexylidenemethoxy)ethyl]thiirane (PubChem CID 176603366) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-[2-(cyclohexylidenemethoxy)ethyl]thiirane.

Molecular Properties

Compound Name2-[2-(cyclohexylidenemethoxy)ethyl]thiirane
PubChem CID176603366
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name2-[2-(cyclohexylidenemethoxy)ethyl]thiirane
SMILESC(OCCC1CS1)=C1CCCCC1
InChIInChI=1S/C11H18OS/c1-2-4-10(5-3-1)8-12-7-6-11-9-13-11/h8,11H,1-7,9H2
InChIKeyRLGIHUWTDSRHRC-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(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-[2-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane
CID 176603107
2-[3-(Cyclohexylidenemethoxy)propyl]-1,4-dithiane
CID 176603296
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiirane
CID 176603466
2-[3-(Cyclohexylidenemethoxy)propyl]thiirane 1,1-dioxide
CID 176603496
3-[2-(Cyclohexylidenemethoxy)ethyl]thietane
CID 176603629
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiirane
CID 176603687
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
CID 176603739
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiirane 1-oxide
CID 176603879
2-(Cyclohexylidenemethoxymethyl)thiane
CID 176604025
2-[2-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176604098
2-[2-(Cyclohexylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176604220

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]thiirane?
The IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]thiirane (CID 176603366) is 2-[2-(cyclohexylidenemethoxy)ethyl]thiirane.
What is the SMILES notation for 2-[2-(cyclohexylidenemethoxy)ethyl]thiirane?
The canonical SMILES for 2-[2-(cyclohexylidenemethoxy)ethyl]thiirane is C(OCCC1CS1)=C1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylidenemethoxy)ethyl]thiirane?
The InChIKey is RLGIHUWTDSRHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-2-4-10(5-3-1)8-12-7-6-11-9-13-11/h8,11H,1-7,9H2.
What are the key properties of 2-[2-(cyclohexylidenemethoxy)ethyl]thiirane?
2-[2-(cyclohexylidenemethoxy)ethyl]thiirane has a molecular weight of 198.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylidenemethoxy)ethyl]thiirane is sourced from PubChem (CID 176603366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).