2-[1-(cyclopentylidenemethoxy)ethyl]thiane

C13H22OS — CID 176603422

IUPAC2-[1-(cyclopentylidenemethoxy)ethyl]thiane
SMILESCC(OC=C1CCCC1)C1CCCCS1
InChIInChI=1S/C13H22OS/c1-11(13-8-4-5-9-15-13)14-10-12-6-2-3-7-12/h10-11,13H,2-9H2,1H3
InChIKeyKRZAGQTZVWPYQJ-UHFFFAOYSA-N
MW226.38 g/mol
LogP4.14
Rot. Bonds3

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

2-[1-(cyclopentylidenemethoxy)ethyl]thiane (PubChem CID 176603422) has the molecular formula C13H22OS and a molecular weight of 226.38 g/mol. Its IUPAC name is 2-[1-(cyclopentylidenemethoxy)ethyl]thiane.

Molecular Properties

Compound Name2-[1-(cyclopentylidenemethoxy)ethyl]thiane
PubChem CID176603422
Molecular FormulaC13H22OS
Molecular Weight226.38 g/mol
Exact Mass226.14
IUPAC Name2-[1-(cyclopentylidenemethoxy)ethyl]thiane
SMILESCC(OC=C1CCCC1)C1CCCCS1
InChIInChI=1S/C13H22OS/c1-11(13-8-4-5-9-15-13)14-10-12-6-2-3-7-12/h10-11,13H,2-9H2,1H3
InChIKeyKRZAGQTZVWPYQJ-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
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

(3R)-3-methyl-2-(3-methylbut-3-enyl)-1,4-oxathiane
CID 139518559
2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176602954
2-[1-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603034
2-[1-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603175
3-[1-(Cyclopentylidenemethoxy)ethyl]thiepane
CID 176603207
2-[2-(Cyclopentylidenemethoxy)ethyl]thiane 1-oxide
CID 176603483
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dithiane
CID 176603667
2-[2-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176603927
2-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1-oxide
CID 176604079
4-[1-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176604230
2-[1-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176604294
2-[3-(Cyclopentylidenemethoxy)propyl]thiane
CID 176604310

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]thiane?
The IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]thiane (CID 176603422) is 2-[1-(cyclopentylidenemethoxy)ethyl]thiane.
What is the SMILES notation for 2-[1-(cyclopentylidenemethoxy)ethyl]thiane?
The canonical SMILES for 2-[1-(cyclopentylidenemethoxy)ethyl]thiane is CC(OC=C1CCCC1)C1CCCCS1.
What is the InChIKey of 2-[1-(cyclopentylidenemethoxy)ethyl]thiane?
The InChIKey is KRZAGQTZVWPYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OS/c1-11(13-8-4-5-9-15-13)14-10-12-6-2-3-7-12/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-[1-(cyclopentylidenemethoxy)ethyl]thiane?
2-[1-(cyclopentylidenemethoxy)ethyl]thiane has a molecular weight of 226.38 g/mol, XLogP of 4.14, 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]thiane is sourced from PubChem (CID 176603422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).