2-(cyclopentylidenemethoxymethyl)thiolane

C11H18OS — CID 176603656

IUPAC2-(cyclopentylidenemethoxymethyl)thiolane
SMILESC(OCC1CCCS1)=C1CCCC1
InChIInChI=1S/C11H18OS/c1-2-5-10(4-1)8-12-9-11-6-3-7-13-11/h8,11H,1-7,9H2
InChIKeyQAQILKWKFJNUSZ-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.36
Rot. Bonds3

About 2-(cyclopentylidenemethoxymethyl)thiolane

2-(cyclopentylidenemethoxymethyl)thiolane (PubChem CID 176603656) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)thiolane.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)thiolane
PubChem CID176603656
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name2-(cyclopentylidenemethoxymethyl)thiolane
SMILESC(OCC1CCCS1)=C1CCCC1
InChIInChI=1S/C11H18OS/c1-2-5-10(4-1)8-12-9-11-6-3-7-13-11/h8,11H,1-7,9H2
InChIKeyQAQILKWKFJNUSZ-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.36
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-(Cyclopentylidenemethoxymethyl)-2-ethylthiolane
CID 176603139
3-[2-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603171
2-[1-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603175
2-[2-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603323
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiolane
CID 176603352
2-[3-(Cyclopentylidenemethoxy)propyl]thiolane
CID 176603378
4-[2-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176603516
3-[1-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603619
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthiolane
CID 176603887
2-(Cyclopentylidenemethoxymethyl)thiolane 1,1-dioxide
CID 176603965
2-[2-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176604098
2-[2-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176604128

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)thiolane?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)thiolane (CID 176603656) is 2-(cyclopentylidenemethoxymethyl)thiolane.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)thiolane?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)thiolane is C(OCC1CCCS1)=C1CCCC1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)thiolane?
The InChIKey is QAQILKWKFJNUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-2-5-10(4-1)8-12-9-11-6-3-7-13-11/h8,11H,1-7,9H2.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)thiolane?
2-(cyclopentylidenemethoxymethyl)thiolane has a molecular weight of 198.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)thiolane is sourced from PubChem (CID 176603656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).