4-[1-(cyclopentylidenemethoxy)ethyl]thiane

C13H22OS — CID 176604230

IUPAC4-[1-(cyclopentylidenemethoxy)ethyl]thiane
SMILESCC(OC=C1CCCC1)C1CCSCC1
InChIInChI=1S/C13H22OS/c1-11(13-6-8-15-9-7-13)14-10-12-4-2-3-5-12/h10-11,13H,2-9H2,1H3
InChIKeyGLWVKXSDUZMEPI-UHFFFAOYSA-N
MW226.38 g/mol
LogP3.99
Rot. Bonds3

About 4-[1-(cyclopentylidenemethoxy)ethyl]thiane

4-[1-(cyclopentylidenemethoxy)ethyl]thiane (PubChem CID 176604230) has the molecular formula C13H22OS and a molecular weight of 226.38 g/mol. Its IUPAC name is 4-[1-(cyclopentylidenemethoxy)ethyl]thiane.

Molecular Properties

Compound Name4-[1-(cyclopentylidenemethoxy)ethyl]thiane
PubChem CID176604230
Molecular FormulaC13H22OS
Molecular Weight226.38 g/mol
Exact Mass226.14
IUPAC Name4-[1-(cyclopentylidenemethoxy)ethyl]thiane
SMILESCC(OC=C1CCCC1)C1CCSCC1
InChIInChI=1S/C13H22OS/c1-11(13-6-8-15-9-7-13)14-10-12-4-2-3-5-12/h10-11,13H,2-9H2,1H3
InChIKeyGLWVKXSDUZMEPI-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 53.99
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

4-(2-Methylprop-1-enoxymethyl)thiane
CID 176602946
2-(Cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane
CID 176602957
3-[1-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603029
4-(Cyclopentylidenemethoxymethyl)thiane
CID 176603291
2-(Cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dithiane
CID 176603376
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dithiane
CID 176603396
2-[1-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176603422
4-[2-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176603516
4-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1-oxide
CID 176603563
3-[1-(Cyclopentylidenemethoxy)ethyl]thietane
CID 176603599
4-[1-(Cyclohexylidenemethoxy)ethyl]thiane
CID 176603618
3-[1-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603619

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopentylidenemethoxy)ethyl]thiane?
The IUPAC name of 4-[1-(cyclopentylidenemethoxy)ethyl]thiane (CID 176604230) is 4-[1-(cyclopentylidenemethoxy)ethyl]thiane.
What is the SMILES notation for 4-[1-(cyclopentylidenemethoxy)ethyl]thiane?
The canonical SMILES for 4-[1-(cyclopentylidenemethoxy)ethyl]thiane is CC(OC=C1CCCC1)C1CCSCC1.
What is the InChIKey of 4-[1-(cyclopentylidenemethoxy)ethyl]thiane?
The InChIKey is GLWVKXSDUZMEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OS/c1-11(13-6-8-15-9-7-13)14-10-12-4-2-3-5-12/h10-11,13H,2-9H2,1H3.
What are the key properties of 4-[1-(cyclopentylidenemethoxy)ethyl]thiane?
4-[1-(cyclopentylidenemethoxy)ethyl]thiane has a molecular weight of 226.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopentylidenemethoxy)ethyl]thiane is sourced from PubChem (CID 176604230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).