2-(cyclopentylidenemethoxymethyl)-2-ethylthiolane

C13H22OS — CID 176603139

IUPAC2-(cyclopentylidenemethoxymethyl)-2-ethylthiolane
SMILESCCC1(COC=C2CCCC2)CCCS1
InChIInChI=1S/C13H22OS/c1-2-13(8-5-9-15-13)11-14-10-12-6-3-4-7-12/h10H,2-9,11H2,1H3
InChIKeyHRQVSTYVTCVABP-UHFFFAOYSA-N
MW226.38 g/mol
LogP4.14
Rot. Bonds4

About 2-(cyclopentylidenemethoxymethyl)-2-ethylthiolane

2-(cyclopentylidenemethoxymethyl)-2-ethylthiolane (PubChem CID 176603139) has the molecular formula C13H22OS and a molecular weight of 226.38 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-ethylthiolane.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-ethylthiolane
PubChem CID176603139
Molecular FormulaC13H22OS
Molecular Weight226.38 g/mol
Exact Mass226.14
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-ethylthiolane
SMILESCCC1(COC=C2CCCC2)CCCS1
InChIInChI=1S/C13H22OS/c1-2-13(8-5-9-15-13)11-14-10-12-6-3-4-7-12/h10H,2-9,11H2,1H3
InChIKeyHRQVSTYVTCVABP-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 54.14
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-[3-(Cyclohexylidenemethoxy)propyl]thiolane
CID 176602921
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane
CID 176602956
3-[2-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603151
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethylthiane
CID 176603158
2-[1-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603175
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiolane
CID 176603177
2-[2-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603323
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiolane
CID 176603352
2-[3-(Cyclopentylidenemethoxy)propyl]thiolane
CID 176603378
2-Ethyl-2-(2-methylprop-1-enoxymethyl)thiolane
CID 176603475
3-[1-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603619
2-(Cyclopentylidenemethoxymethyl)thiolane
CID 176603656

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiolane?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiolane (CID 176603139) is 2-(cyclopentylidenemethoxymethyl)-2-ethylthiolane.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiolane?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiolane is CCC1(COC=C2CCCC2)CCCS1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiolane?
The InChIKey is HRQVSTYVTCVABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OS/c1-2-13(8-5-9-15-13)11-14-10-12-6-3-4-7-12/h10H,2-9,11H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiolane?
2-(cyclopentylidenemethoxymethyl)-2-ethylthiolane has a molecular weight of 226.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiolane is sourced from PubChem (CID 176603139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).