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

C13H22O3 — CID 176604425

IUPAC2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane
SMILESCC(OC=C1CCCCC1)C1COCCO1
InChIInChI=1S/C13H22O3/c1-11(13-10-14-7-8-15-13)16-9-12-5-3-2-4-6-12/h9,11,13H,2-8,10H2,1H3
InChIKeyXWVWPUCKKNYVKQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.65
Rot. Bonds3

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

2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane (PubChem CID 176604425) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane
PubChem CID176604425
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane
SMILESCC(OC=C1CCCCC1)C1COCCO1
InChIInChI=1S/C13H22O3/c1-11(13-10-14-7-8-15-13)16-9-12-5-3-2-4-6-12/h9,11,13H,2-8,10H2,1H3
InChIKeyXWVWPUCKKNYVKQ-UHFFFAOYSA-N
XLogP2.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.65
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-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran
CID 70503984
1-[2-(2-Ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane
CID 156647449
2-(2-Ethoxyethoxy)ethoxymethylidenecyclohexane
CID 175229512
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-(Cyclohexylidenemethoxy)ethyl]-1,4-dioxane
CID 176604064
2-(Cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane
CID 176604087
2-[1-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176604355
2-[1-(Cyclohexylidenemethoxy)ethyl]oxirane
CID 176604726
2-(Cyclohexylidenemethoxymethyl)oxane
CID 176604786

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane?
The IUPAC name of 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane (CID 176604425) is 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane.
What is the SMILES notation for 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane?
The canonical SMILES for 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane is CC(OC=C1CCCCC1)C1COCCO1.
What is the InChIKey of 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane?
The InChIKey is XWVWPUCKKNYVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-11(13-10-14-7-8-15-13)16-9-12-5-3-2-4-6-12/h9,11,13H,2-8,10H2,1H3.
What are the key properties of 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane?
2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane has a molecular weight of 226.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylidenemethoxy)ethyl]-1,4-dioxane is sourced from PubChem (CID 176604425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).