2-[1-(cyclopentylidenemethoxy)ethyl]thiolane

C12H20OS — CID 176603175

IUPAC2-[1-(cyclopentylidenemethoxy)ethyl]thiolane
SMILESCC(OC=C1CCCC1)C1CCCS1
InChIInChI=1S/C12H20OS/c1-10(12-7-4-8-14-12)13-9-11-5-2-3-6-11/h9-10,12H,2-8H2,1H3
InChIKeyQCCQGTDWWYOKRY-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.74
Rot. Bonds3

About 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane

2-[1-(cyclopentylidenemethoxy)ethyl]thiolane (PubChem CID 176603175) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane.

Molecular Properties

Compound Name2-[1-(cyclopentylidenemethoxy)ethyl]thiolane
PubChem CID176603175
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name2-[1-(cyclopentylidenemethoxy)ethyl]thiolane
SMILESCC(OC=C1CCCC1)C1CCCS1
InChIInChI=1S/C12H20OS/c1-10(12-7-4-8-14-12)13-9-11-5-2-3-6-11/h9-10,12H,2-8H2,1H3
InChIKeyQCCQGTDWWYOKRY-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.74
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

2-[1-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603034
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiolane
CID 176603139
2-[1-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603159
2-[2-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603323
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiolane
CID 176603352
2-[3-(Cyclopentylidenemethoxy)propyl]thiolane
CID 176603378
2-[1-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176603422
2-[1-(2-Methylprop-1-enoxy)ethyl]thiolane
CID 176603467
3-[1-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603619
2-(Cyclopentylidenemethoxymethyl)thiolane
CID 176603656
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthiolane
CID 176603887
3-[2-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176604273

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane?
The IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane (CID 176603175) is 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane.
What is the SMILES notation for 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane?
The canonical SMILES for 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane is CC(OC=C1CCCC1)C1CCCS1.
What is the InChIKey of 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane?
The InChIKey is QCCQGTDWWYOKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-10(12-7-4-8-14-12)13-9-11-5-2-3-6-11/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane?
2-[1-(cyclopentylidenemethoxy)ethyl]thiolane has a molecular weight of 212.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylidenemethoxy)ethyl]thiolane is sourced from PubChem (CID 176603175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).