3-[2-(cyclopentylidenemethoxy)ethyl]thiolane

C12H20OS — CID 176604273

IUPAC3-[2-(cyclopentylidenemethoxy)ethyl]thiolane
SMILESC(OCCC1CCSC1)=C1CCCC1
InChIInChI=1S/C12H20OS/c1-2-4-11(3-1)9-13-7-5-12-6-8-14-10-12/h9,12H,1-8,10H2
InChIKeyHJCBNAKOUMWQTE-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.60
Rot. Bonds4

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

3-[2-(cyclopentylidenemethoxy)ethyl]thiolane (PubChem CID 176604273) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-[2-(cyclopentylidenemethoxy)ethyl]thiolane.

Molecular Properties

Compound Name3-[2-(cyclopentylidenemethoxy)ethyl]thiolane
PubChem CID176604273
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name3-[2-(cyclopentylidenemethoxy)ethyl]thiolane
SMILESC(OCCC1CCSC1)=C1CCCC1
InChIInChI=1S/C12H20OS/c1-2-4-11(3-1)9-13-7-5-12-6-8-14-10-12/h9,12H,1-8,10H2
InChIKeyHJCBNAKOUMWQTE-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.60
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]thiolane?
The IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]thiolane (CID 176604273) is 3-[2-(cyclopentylidenemethoxy)ethyl]thiolane.
What is the SMILES notation for 3-[2-(cyclopentylidenemethoxy)ethyl]thiolane?
The canonical SMILES for 3-[2-(cyclopentylidenemethoxy)ethyl]thiolane is C(OCCC1CCSC1)=C1CCCC1.
What is the InChIKey of 3-[2-(cyclopentylidenemethoxy)ethyl]thiolane?
The InChIKey is HJCBNAKOUMWQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-2-4-11(3-1)9-13-7-5-12-6-8-14-10-12/h9,12H,1-8,10H2.
What are the key properties of 3-[2-(cyclopentylidenemethoxy)ethyl]thiolane?
3-[2-(cyclopentylidenemethoxy)ethyl]thiolane has a molecular weight of 212.36 g/mol, XLogP of 3.60, 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]thiolane is sourced from PubChem (CID 176604273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).