2-(cyclohexylidenemethoxymethyl)-1,4-dioxane

C12H20O3 — CID 176602915

IUPAC2-(cyclohexylidenemethoxymethyl)-1,4-dioxane
SMILESC(OCC1COCCO1)=C1CCCCC1
InChIInChI=1S/C12H20O3/c1-2-4-11(5-3-1)8-14-10-12-9-13-6-7-15-12/h8,12H,1-7,9-10H2
InChIKeyKHQDATHGKQGQCI-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.27
Rot. Bonds3

About 2-(cyclohexylidenemethoxymethyl)-1,4-dioxane

2-(cyclohexylidenemethoxymethyl)-1,4-dioxane (PubChem CID 176602915) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)-1,4-dioxane.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)-1,4-dioxane
PubChem CID176602915
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-(cyclohexylidenemethoxymethyl)-1,4-dioxane
SMILESC(OCC1COCCO1)=C1CCCCC1
InChIInChI=1S/C12H20O3/c1-2-4-11(5-3-1)8-14-10-12-9-13-6-7-15-12/h8,12H,1-7,9-10H2
InChIKeyKHQDATHGKQGQCI-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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

1-[2-(2-Ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane
CID 156647449
2-(2-Ethoxyethoxy)ethoxymethylidenecyclohexane
CID 175229512
3-(Cyclohexylidenemethoxy)oxolane
CID 176603024
3-(Cyclohexylidenemethoxy)oxane
CID 176603061
2-[3-(Cyclohexylidenemethoxy)propyl]-1,4-dioxane
CID 176603397
2-(Cyclopentylidenemethoxymethyl)-1,4-dioxane
CID 176603998
2-[2-(Cyclohexylidenemethoxy)ethyl]-1,4-dioxane
CID 176604064
2-(Cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane
CID 176604087
2-[1-(Cyclohexylidenemethoxy)ethyl]-1,4-dioxane
CID 176604425
2-(Cyclohexylidenemethoxymethyl)oxane
CID 176604786
2-(Cyclohexylidenemethoxymethyl)-2-methyl-1,4-dioxane
CID 176605260
2-(Cyclohexylidenemethoxymethyl)oxirane
CID 176605328

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)-1,4-dioxane?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)-1,4-dioxane (CID 176602915) is 2-(cyclohexylidenemethoxymethyl)-1,4-dioxane.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)-1,4-dioxane?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)-1,4-dioxane is C(OCC1COCCO1)=C1CCCCC1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)-1,4-dioxane?
The InChIKey is KHQDATHGKQGQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-4-11(5-3-1)8-14-10-12-9-13-6-7-15-12/h8,12H,1-7,9-10H2.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)-1,4-dioxane?
2-(cyclohexylidenemethoxymethyl)-1,4-dioxane has a molecular weight of 212.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)-1,4-dioxane is sourced from PubChem (CID 176602915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).