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

C13H22O3 — CID 176604064

IUPAC2-[2-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane
SMILESC(OCCC1COCCO1)=C1CCCCC1
InChIInChI=1S/C13H22O3/c1-2-4-12(5-3-1)10-14-7-6-13-11-15-8-9-16-13/h10,13H,1-9,11H2
InChIKeyNPDOAEWNVCLYQH-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.66
Rot. Bonds4

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

2-[2-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane (PubChem CID 176604064) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[2-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[2-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane
PubChem CID176604064
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-[2-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane
SMILESC(OCCC1COCCO1)=C1CCCCC1
InChIInChI=1S/C13H22O3/c1-2-4-12(5-3-1)10-14-7-6-13-11-15-8-9-16-13/h10,13H,1-9,11H2
InChIKeyNPDOAEWNVCLYQH-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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Cyclohexylidenemethoxymethyl)-1,4-dioxane
CID 176602915
3-(Cyclohexylidenemethoxy)oxolane
CID 176603024
3-(Cyclohexylidenemethoxy)oxane
CID 176603061
2-[3-(Cyclohexylidenemethoxy)propyl]-1,4-dioxane
CID 176603397
2-[2-(Cyclopentylidenemethoxy)ethyl]-1,4-dioxane
CID 176604070
2-(Cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane
CID 176604087
2-[1-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176604355
2-[1-(Cyclohexylidenemethoxy)ethyl]-1,4-dioxane
CID 176604425
2-(Cyclohexylidenemethoxymethyl)oxane
CID 176604786
2-(Cyclohexylidenemethoxymethyl)-2-methyl-1,4-dioxane
CID 176605260
4-(Cyclohexylidenemethoxy)oxane
CID 176605414
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dioxane
CID 176605441

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane?
The IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane (CID 176604064) is 2-[2-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane.
What is the SMILES notation for 2-[2-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane?
The canonical SMILES for 2-[2-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane is C(OCCC1COCCO1)=C1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane?
The InChIKey is NPDOAEWNVCLYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-2-4-12(5-3-1)10-14-7-6-13-11-15-8-9-16-13/h10,13H,1-9,11H2.
What are the key properties of 2-[2-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane?
2-[2-(cyclohexylidenemethoxy)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-[2-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane is sourced from PubChem (CID 176604064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).