2-[3-(cyclopentylidenemethoxy)propyl]thiirane

C11H18OS — CID 176604591

IUPAC2-[3-(cyclopentylidenemethoxy)propyl]thiirane
SMILESC(OCCCC1CS1)=C1CCCC1
InChIInChI=1S/C11H18OS/c1-2-5-10(4-1)8-12-7-3-6-11-9-13-11/h8,11H,1-7,9H2
InChIKeyFPHZITRGTSFYRY-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.36
Rot. Bonds5

About 2-[3-(cyclopentylidenemethoxy)propyl]thiirane

2-[3-(cyclopentylidenemethoxy)propyl]thiirane (PubChem CID 176604591) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-[3-(cyclopentylidenemethoxy)propyl]thiirane.

Molecular Properties

Compound Name2-[3-(cyclopentylidenemethoxy)propyl]thiirane
PubChem CID176604591
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name2-[3-(cyclopentylidenemethoxy)propyl]thiirane
SMILESC(OCCCC1CS1)=C1CCCC1
InChIInChI=1S/C11H18OS/c1-2-5-10(4-1)8-12-7-3-6-11-9-13-11/h8,11H,1-7,9H2
InChIKeyFPHZITRGTSFYRY-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-[3-(cyclopentylidenemethoxy)propyl]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-(Cyclopentylidenemethoxymethyl)-2-methylthiirane
CID 176602916
2-(Cyclopentylidenemethoxymethyl)thiirane
CID 176603038
2-[2-(Cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603082
2-[3-(Cyclopentylidenemethoxy)propyl]thiirane 1-oxide
CID 176603130
2-[3-(2-Methylprop-1-enoxy)propyl]thiirane
CID 176603285
2-[2-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603323
2-[1-(Cyclopentylidenemethoxy)ethyl]thiirane
CID 176603355
2-[2-(Cyclohexylidenemethoxy)ethyl]thiirane
CID 176603366
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiirane
CID 176603545
2-(Cyclopentylidenemethoxymethyl)thiolane
CID 176603656
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiirane
CID 176603836
2-(Cyclopentylidenemethoxymethyl)thiane
CID 176604535

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]thiirane?
The IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]thiirane (CID 176604591) is 2-[3-(cyclopentylidenemethoxy)propyl]thiirane.
What is the SMILES notation for 2-[3-(cyclopentylidenemethoxy)propyl]thiirane?
The canonical SMILES for 2-[3-(cyclopentylidenemethoxy)propyl]thiirane is C(OCCCC1CS1)=C1CCCC1.
What is the InChIKey of 2-[3-(cyclopentylidenemethoxy)propyl]thiirane?
The InChIKey is FPHZITRGTSFYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-2-5-10(4-1)8-12-7-3-6-11-9-13-11/h8,11H,1-7,9H2.
What are the key properties of 2-[3-(cyclopentylidenemethoxy)propyl]thiirane?
2-[3-(cyclopentylidenemethoxy)propyl]thiirane has a molecular weight of 198.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylidenemethoxy)propyl]thiirane is sourced from PubChem (CID 176604591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).