2-(cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane

C13H22O3 — CID 176604242

IUPAC2-(cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane
SMILESCCC1(COC=C2CCCC2)COCCO1
InChIInChI=1S/C13H22O3/c1-2-13(10-14-7-8-16-13)11-15-9-12-5-3-4-6-12/h9H,2-8,10-11H2,1H3
InChIKeyGMVQFAANBBOVHV-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.66
Rot. Bonds4

About 2-(cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane

2-(cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane (PubChem CID 176604242) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane
PubChem CID176604242
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane
SMILESCCC1(COC=C2CCCC2)COCCO1
InChIInChI=1S/C13H22O3/c1-2-13(10-14-7-8-16-13)11-15-9-12-5-3-4-6-12/h9H,2-8,10-11H2,1H3
InChIKeyGMVQFAANBBOVHV-UHFFFAOYSA-N
XLogP2.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.66
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

2-Ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
CID 176602940
2-(Cyclopentylidenemethoxymethyl)-2-methyloxane
CID 176603452
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxirane
CID 176603520
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-(Cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane
CID 176604087
2-(Cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane
CID 176604724
2-[1-(Cyclopentylidenemethoxy)ethyl]-1,4-dioxane
CID 176605283
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dioxane
CID 176605441

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane (CID 176604242) is 2-(cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane is CCC1(COC=C2CCCC2)COCCO1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane?
The InChIKey is GMVQFAANBBOVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-2-13(10-14-7-8-16-13)11-15-9-12-5-3-4-6-12/h9H,2-8,10-11H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane?
2-(cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane has a molecular weight of 226.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane is sourced from PubChem (CID 176604242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).