3-[2-(cyclopentylidenemethoxy)ethyl]thietane

C11H18OS — CID 176605101

IUPAC3-[2-(cyclopentylidenemethoxy)ethyl]thietane
SMILESC(OCCC1CSC1)=C1CCCC1
InChIInChI=1S/C11H18OS/c1-2-4-10(3-1)7-12-6-5-11-8-13-9-11/h7,11H,1-6,8-9H2
InChIKeyWSRHYEHJUGZJBO-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.21
Rot. Bonds4

About 3-[2-(cyclopentylidenemethoxy)ethyl]thietane

3-[2-(cyclopentylidenemethoxy)ethyl]thietane (PubChem CID 176605101) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 3-[2-(cyclopentylidenemethoxy)ethyl]thietane.

Molecular Properties

Compound Name3-[2-(cyclopentylidenemethoxy)ethyl]thietane
PubChem CID176605101
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name3-[2-(cyclopentylidenemethoxy)ethyl]thietane
SMILESC(OCCC1CSC1)=C1CCCC1
InChIInChI=1S/C11H18OS/c1-2-4-10(3-1)7-12-6-5-11-8-13-9-11/h7,11H,1-6,8-9H2
InChIKeyWSRHYEHJUGZJBO-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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'}

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Related Compounds

3-[2-(Cyclopentylidenemethoxy)ethyl]thietane 1-oxide
CID 176603042
4-(Cyclopentylidenemethoxymethyl)thiane
CID 176603291
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthietane
CID 176603303
3-[3-(Cyclohexylidenemethoxy)propyl]thietane
CID 176603362
4-[2-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176603516
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiirane
CID 176603545
3-[1-(Cyclopentylidenemethoxy)ethyl]thietane
CID 176603599
3-[2-(Cyclohexylidenemethoxy)ethyl]thietane
CID 176603629
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane
CID 176603708
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiirane
CID 176603836
3-(Cyclopentylidenemethoxymethyl)thietane
CID 176603861
3-[2-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176604273

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]thietane?
The IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]thietane (CID 176605101) is 3-[2-(cyclopentylidenemethoxy)ethyl]thietane.
What is the SMILES notation for 3-[2-(cyclopentylidenemethoxy)ethyl]thietane?
The canonical SMILES for 3-[2-(cyclopentylidenemethoxy)ethyl]thietane is C(OCCC1CSC1)=C1CCCC1.
What is the InChIKey of 3-[2-(cyclopentylidenemethoxy)ethyl]thietane?
The InChIKey is WSRHYEHJUGZJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-2-4-10(3-1)7-12-6-5-11-8-13-9-11/h7,11H,1-6,8-9H2.
What are the key properties of 3-[2-(cyclopentylidenemethoxy)ethyl]thietane?
3-[2-(cyclopentylidenemethoxy)ethyl]thietane has a molecular weight of 198.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylidenemethoxy)ethyl]thietane is sourced from PubChem (CID 176605101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).