2-[3-(cyclopentylidenemethoxy)propyl]thiolane

C13H22OS — CID 176603378

IUPAC2-[3-(cyclopentylidenemethoxy)propyl]thiolane
SMILESC(OCCCC1CCCS1)=C1CCCC1
InChIInChI=1S/C13H22OS/c1-2-6-12(5-1)11-14-9-3-7-13-8-4-10-15-13/h11,13H,1-10H2
InChIKeyPWKAJWOFUMRZJR-UHFFFAOYSA-N
MW226.38 g/mol
LogP4.14
Rot. Bonds5

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

2-[3-(cyclopentylidenemethoxy)propyl]thiolane (PubChem CID 176603378) has the molecular formula C13H22OS and a molecular weight of 226.38 g/mol. Its IUPAC name is 2-[3-(cyclopentylidenemethoxy)propyl]thiolane.

Molecular Properties

Compound Name2-[3-(cyclopentylidenemethoxy)propyl]thiolane
PubChem CID176603378
Molecular FormulaC13H22OS
Molecular Weight226.38 g/mol
Exact Mass226.14
IUPAC Name2-[3-(cyclopentylidenemethoxy)propyl]thiolane
SMILESC(OCCCC1CCCS1)=C1CCCC1
InChIInChI=1S/C13H22OS/c1-2-6-12(5-1)11-14-9-3-7-13-8-4-10-15-13/h11,13H,1-10H2
InChIKeyPWKAJWOFUMRZJR-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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'}, {'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]thiolane
CID 176603323
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiolane
CID 176603352
2-[3-(2-Methylprop-1-enoxy)propyl]thiolane
CID 176603435
2-(Cyclopentylidenemethoxymethyl)thiolane
CID 176603656
2-[3-(Cyclopentylidenemethoxy)propyl]thiolane 1-oxide
CID 176603827
2-(Cyclopentylidenemethoxymethyl)thiepane
CID 176603893
2-[2-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176603927
2-[3-(Cyclohexylidenemethoxy)propyl]thiolane
CID 176603999
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-[3-(cyclopentylidenemethoxy)propyl]thiolane?
The IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]thiolane (CID 176603378) is 2-[3-(cyclopentylidenemethoxy)propyl]thiolane.
What is the SMILES notation for 2-[3-(cyclopentylidenemethoxy)propyl]thiolane?
The canonical SMILES for 2-[3-(cyclopentylidenemethoxy)propyl]thiolane is C(OCCCC1CCCS1)=C1CCCC1.
What is the InChIKey of 2-[3-(cyclopentylidenemethoxy)propyl]thiolane?
The InChIKey is PWKAJWOFUMRZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OS/c1-2-6-12(5-1)11-14-9-3-7-13-8-4-10-15-13/h11,13H,1-10H2.
What are the key properties of 2-[3-(cyclopentylidenemethoxy)propyl]thiolane?
2-[3-(cyclopentylidenemethoxy)propyl]thiolane has a molecular weight of 226.38 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylidenemethoxy)propyl]thiolane is sourced from PubChem (CID 176603378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).