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

C12H20O3 — CID 176605283

IUPAC2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane
SMILESCC(OC=C1CCCC1)C1COCCO1
InChIInChI=1S/C12H20O3/c1-10(12-9-13-6-7-14-12)15-8-11-4-2-3-5-11/h8,10,12H,2-7,9H2,1H3
InChIKeyVSASHHIUFAOEEU-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.26
Rot. Bonds3

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

2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane (PubChem CID 176605283) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane
PubChem CID176605283
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane
SMILESCC(OC=C1CCCC1)C1COCCO1
InChIInChI=1S/C12H20O3/c1-10(12-9-13-6-7-14-12)15-8-11-4-2-3-5-11/h8,10,12H,2-7,9H2,1H3
InChIKeyVSASHHIUFAOEEU-UHFFFAOYSA-N
XLogP2.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(Cyclohexylidenemethoxy)oxolane
CID 176603024
4-(Cyclopentylidenemethoxy)oxane
CID 176603057
2-[1-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176603211
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-(Cyclopentylidenemethoxy)ethyl]-1,4-dioxane
CID 176604070
2-(Cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane
CID 176604242
2-[1-(Cyclopentylidenemethoxy)ethyl]oxirane
CID 176604255
2-[1-(Cyclohexylidenemethoxy)ethyl]-1,4-dioxane
CID 176604425
3-(Cyclopentylidenemethoxy)oxane
CID 176604530
2-[1-(2-Methylprop-1-enoxy)ethyl]-1,4-dioxane
CID 176604601

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane?
The IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane (CID 176605283) is 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane.
What is the SMILES notation for 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane?
The canonical SMILES for 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane is CC(OC=C1CCCC1)C1COCCO1.
What is the InChIKey of 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane?
The InChIKey is VSASHHIUFAOEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-10(12-9-13-6-7-14-12)15-8-11-4-2-3-5-11/h8,10,12H,2-7,9H2,1H3.
What are the key properties of 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane?
2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane has a molecular weight of 212.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylidenemethoxy)ethyl]-1,4-dioxane is sourced from PubChem (CID 176605283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).