2-(cyclopentylidenemethoxymethyl)thiirane

C9H14OS — CID 176603038

IUPAC2-(cyclopentylidenemethoxymethyl)thiirane
SMILESC(OCC1CS1)=C1CCCC1
InChIInChI=1S/C9H14OS/c1-2-4-8(3-1)5-10-6-9-7-11-9/h5,9H,1-4,6-7H2
InChIKeyGWTFRFLKAZESRA-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.58
Rot. Bonds3

About 2-(cyclopentylidenemethoxymethyl)thiirane

2-(cyclopentylidenemethoxymethyl)thiirane (PubChem CID 176603038) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)thiirane.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)thiirane
PubChem CID176603038
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name2-(cyclopentylidenemethoxymethyl)thiirane
SMILESC(OCC1CS1)=C1CCCC1
InChIInChI=1S/C9H14OS/c1-2-4-8(3-1)5-10-6-9-7-11-9/h5,9H,1-4,6-7H2
InChIKeyGWTFRFLKAZESRA-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.58
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'}

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Related Compounds

2-(Cyclopentylidenemethoxymethyl)-2-methylthiirane
CID 176602916
2-[1-(Cyclopentylidenemethoxy)ethyl]thiirane
CID 176603355
2-(Cyclopentylidenemethoxymethyl)thiirane 1,1-dioxide
CID 176603368
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiirane
CID 176603545
2-(Cyclopentylidenemethoxymethyl)thiirane 1-oxide
CID 176603763
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiirane
CID 176603836
2-(Cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide
CID 176604250
2-[3-(Cyclopentylidenemethoxy)propyl]thiirane
CID 176604591
2-(Cyclohexylidenemethoxymethyl)thiirane
CID 176605324
2-[2-(Cyclopentylidenemethoxy)ethyl]thiirane
CID 176605382

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)thiirane?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)thiirane (CID 176603038) is 2-(cyclopentylidenemethoxymethyl)thiirane.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)thiirane?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)thiirane is C(OCC1CS1)=C1CCCC1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)thiirane?
The InChIKey is GWTFRFLKAZESRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-2-4-8(3-1)5-10-6-9-7-11-9/h5,9H,1-4,6-7H2.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)thiirane?
2-(cyclopentylidenemethoxymethyl)thiirane has a molecular weight of 170.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)thiirane is sourced from PubChem (CID 176603038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).