2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane

C12H20O3 — CID 176604070

IUPAC2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane
SMILESC(OCCC1COCCO1)=C1CCCC1
InChIInChI=1S/C12H20O3/c1-2-4-11(3-1)9-13-6-5-12-10-14-7-8-15-12/h9,12H,1-8,10H2
InChIKeyXRDLOZAJAPQAOL-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.27
Rot. Bonds4

About 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane

2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane (PubChem CID 176604070) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane
PubChem CID176604070
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane
SMILESC(OCCC1COCCO1)=C1CCCC1
InChIInChI=1S/C12H20O3/c1-2-4-11(3-1)9-13-6-5-12-10-14-7-8-15-12/h9,12H,1-8,10H2
InChIKeyXRDLOZAJAPQAOL-UHFFFAOYSA-N
XLogP2.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-(Cyclohexylidenemethoxy)oxolane
CID 176603024
4-(Cyclopentylidenemethoxy)oxane
CID 176603057
2-(Cyclopentylidenemethoxymethyl)oxane
CID 176603363
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dioxane
CID 176603690
2-(Cyclopentylidenemethoxymethyl)-1,4-dioxane
CID 176603998
2-[2-(Cyclohexylidenemethoxy)ethyl]-1,4-dioxane
CID 176604064
2-(Cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane
CID 176604242
3-(Cyclopentylidenemethoxy)oxane
CID 176604530
2-(Cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane
CID 176604724
2-[3-(Cyclopentylidenemethoxy)propyl]-1,4-dioxane
CID 176604757
3-(Cyclopentylidenemethoxy)oxolane
CID 176604937
2-[1-(Cyclopentylidenemethoxy)ethyl]-1,4-dioxane
CID 176605283

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane?
The IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane (CID 176604070) is 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane.
What is the SMILES notation for 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane?
The canonical SMILES for 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane is C(OCCC1COCCO1)=C1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane?
The InChIKey is XRDLOZAJAPQAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-4-11(3-1)9-13-6-5-12-10-14-7-8-15-12/h9,12H,1-8,10H2.
What are the key properties of 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane?
2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane has a molecular weight of 212.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane is sourced from PubChem (CID 176604070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).