2-[2-(cyclopentylidenemethoxy)ethyl]thiolane

C12H20OS — CID 176603323

IUPAC2-[2-(cyclopentylidenemethoxy)ethyl]thiolane
SMILESC(OCCC1CCCS1)=C1CCCC1
InChIInChI=1S/C12H20OS/c1-2-5-11(4-1)10-13-8-7-12-6-3-9-14-12/h10,12H,1-9H2
InChIKeyOTGNMTHNGBBBFT-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.75
Rot. Bonds4

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

2-[2-(cyclopentylidenemethoxy)ethyl]thiolane (PubChem CID 176603323) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-[2-(cyclopentylidenemethoxy)ethyl]thiolane.

Molecular Properties

Compound Name2-[2-(cyclopentylidenemethoxy)ethyl]thiolane
PubChem CID176603323
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name2-[2-(cyclopentylidenemethoxy)ethyl]thiolane
SMILESC(OCCC1CCCS1)=C1CCCC1
InChIInChI=1S/C12H20OS/c1-2-5-11(4-1)10-13-8-7-12-6-3-9-14-12/h10,12H,1-9H2
InChIKeyOTGNMTHNGBBBFT-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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

2-(Cyclopentylidenemethoxymethyl)-2-ethylthiolane
CID 176603139
2-[1-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603175
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiolane
CID 176603352
2-[3-(Cyclopentylidenemethoxy)propyl]thiolane
CID 176603378
2-(Cyclopentylidenemethoxymethyl)thiolane
CID 176603656
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthiolane
CID 176603717
2-[3-(Cyclopentylidenemethoxy)propyl]thiolane 1-oxide
CID 176603827
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthiolane
CID 176603887
2-(Cyclopentylidenemethoxymethyl)thiepane
CID 176603893
2-[2-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176603927
2-[3-(Cyclohexylidenemethoxy)propyl]thiolane
CID 176603999
2-[2-(2-Methylprop-1-enoxy)ethyl]thiolane
CID 176604028

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]thiolane?
The IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]thiolane (CID 176603323) is 2-[2-(cyclopentylidenemethoxy)ethyl]thiolane.
What is the SMILES notation for 2-[2-(cyclopentylidenemethoxy)ethyl]thiolane?
The canonical SMILES for 2-[2-(cyclopentylidenemethoxy)ethyl]thiolane is C(OCCC1CCCS1)=C1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylidenemethoxy)ethyl]thiolane?
The InChIKey is OTGNMTHNGBBBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-2-5-11(4-1)10-13-8-7-12-6-3-9-14-12/h10,12H,1-9H2.
What are the key properties of 2-[2-(cyclopentylidenemethoxy)ethyl]thiolane?
2-[2-(cyclopentylidenemethoxy)ethyl]thiolane has a molecular weight of 212.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylidenemethoxy)ethyl]thiolane is sourced from PubChem (CID 176603323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).