2-[1-(cyclopentylidenemethoxy)ethyl]thiirane

C10H16OS — CID 176603355

IUPAC2-[1-(cyclopentylidenemethoxy)ethyl]thiirane
SMILESCC(OC=C1CCCC1)C1CS1
InChIInChI=1S/C10H16OS/c1-8(10-7-12-10)11-6-9-4-2-3-5-9/h6,8,10H,2-5,7H2,1H3
InChIKeyOTTZOFIHOFHSIK-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.96
Rot. Bonds3

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

2-[1-(cyclopentylidenemethoxy)ethyl]thiirane (PubChem CID 176603355) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 2-[1-(cyclopentylidenemethoxy)ethyl]thiirane.

Molecular Properties

Compound Name2-[1-(cyclopentylidenemethoxy)ethyl]thiirane
PubChem CID176603355
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name2-[1-(cyclopentylidenemethoxy)ethyl]thiirane
SMILESCC(OC=C1CCCC1)C1CS1
InChIInChI=1S/C10H16OS/c1-8(10-7-12-10)11-6-9-4-2-3-5-9/h6,8,10H,2-5,7H2,1H3
InChIKeyOTTZOFIHOFHSIK-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.96
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-(Cyclopentylidenemethoxymethyl)thiirane
CID 176603038
2-[1-(Cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603256
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiirane
CID 176603545
3-[1-(Cyclopentylidenemethoxy)ethyl]thietane
CID 176603599
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiirane
CID 176603836
2-(Cyclopentylidenemethoxymethyl)-2-methylthiirane 1-oxide
CID 176604250
2-[3-(Cyclopentylidenemethoxy)propyl]thiirane
CID 176604591
2-[1-(Cyclohexylidenemethoxy)ethyl]thiirane
CID 176604874
2-[1-(Cyclopentylidenemethoxy)ethyl]-1,4-dithiane
CID 176605318
2-[1-(Cyclopentylidenemethoxy)ethyl]thiirane 1-oxide
CID 176605368
2-[2-(Cyclopentylidenemethoxy)ethyl]thiirane
CID 176605382

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]thiirane?
The IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]thiirane (CID 176603355) is 2-[1-(cyclopentylidenemethoxy)ethyl]thiirane.
What is the SMILES notation for 2-[1-(cyclopentylidenemethoxy)ethyl]thiirane?
The canonical SMILES for 2-[1-(cyclopentylidenemethoxy)ethyl]thiirane is CC(OC=C1CCCC1)C1CS1.
What is the InChIKey of 2-[1-(cyclopentylidenemethoxy)ethyl]thiirane?
The InChIKey is OTTZOFIHOFHSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-8(10-7-12-10)11-6-9-4-2-3-5-9/h6,8,10H,2-5,7H2,1H3.
What are the key properties of 2-[1-(cyclopentylidenemethoxy)ethyl]thiirane?
2-[1-(cyclopentylidenemethoxy)ethyl]thiirane has a molecular weight of 184.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylidenemethoxy)ethyl]thiirane is sourced from PubChem (CID 176603355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).