3-[1-(cyclopentylidenemethoxy)ethyl]thietane

C11H18OS — CID 176603599

IUPAC3-[1-(cyclopentylidenemethoxy)ethyl]thietane
SMILESCC(OC=C1CCCC1)C1CSC1
InChIInChI=1S/C11H18OS/c1-9(11-7-13-8-11)12-6-10-4-2-3-5-10/h6,9,11H,2-5,7-8H2,1H3
InChIKeyCFIZZNKVKRXYLI-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.21
Rot. Bonds3

About 3-[1-(cyclopentylidenemethoxy)ethyl]thietane

3-[1-(cyclopentylidenemethoxy)ethyl]thietane (PubChem CID 176603599) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 3-[1-(cyclopentylidenemethoxy)ethyl]thietane.

Molecular Properties

Compound Name3-[1-(cyclopentylidenemethoxy)ethyl]thietane
PubChem CID176603599
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name3-[1-(cyclopentylidenemethoxy)ethyl]thietane
SMILESCC(OC=C1CCCC1)C1CSC1
InChIInChI=1S/C11H18OS/c1-9(11-7-13-8-11)12-6-10-4-2-3-5-10/h6,9,11H,2-5,7-8H2,1H3
InChIKeyCFIZZNKVKRXYLI-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(Cyclohexylidenemethoxy)ethyl]thietane
CID 176603095
3-[1-(Cyclopentylidenemethoxy)ethyl]thietane 1-oxide
CID 176603124
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthietane
CID 176603303
2-[1-(Cyclopentylidenemethoxy)ethyl]thiirane
CID 176603355
3-[1-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603619
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane
CID 176603708
3-(Cyclopentylidenemethoxymethyl)thietane
CID 176603861
3-[1-(2-Methylprop-1-enoxy)ethyl]thietane
CID 176603944
4-[1-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176604230
3-(Cyclopentylidenemethoxymethyl)-3-ethylthietane
CID 176604400
3-[3-(Cyclopentylidenemethoxy)propyl]thietane
CID 176604780
3-[2-(Cyclopentylidenemethoxy)ethyl]thietane
CID 176605101

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentylidenemethoxy)ethyl]thietane?
The IUPAC name of 3-[1-(cyclopentylidenemethoxy)ethyl]thietane (CID 176603599) is 3-[1-(cyclopentylidenemethoxy)ethyl]thietane.
What is the SMILES notation for 3-[1-(cyclopentylidenemethoxy)ethyl]thietane?
The canonical SMILES for 3-[1-(cyclopentylidenemethoxy)ethyl]thietane is CC(OC=C1CCCC1)C1CSC1.
What is the InChIKey of 3-[1-(cyclopentylidenemethoxy)ethyl]thietane?
The InChIKey is CFIZZNKVKRXYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-9(11-7-13-8-11)12-6-10-4-2-3-5-10/h6,9,11H,2-5,7-8H2,1H3.
What are the key properties of 3-[1-(cyclopentylidenemethoxy)ethyl]thietane?
3-[1-(cyclopentylidenemethoxy)ethyl]thietane has a molecular weight of 198.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentylidenemethoxy)ethyl]thietane is sourced from PubChem (CID 176603599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).