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

C14H24O3 — CID 176604087

IUPAC2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane
SMILESCCC1(COC=C2CCCCC2)COCCO1
InChIInChI=1S/C14H24O3/c1-2-14(11-15-8-9-17-14)12-16-10-13-6-4-3-5-7-13/h10H,2-9,11-12H2,1H3
InChIKeyKZVKTMIPSMUUPK-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.05
Rot. Bonds4

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

2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane (PubChem CID 176604087) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane
PubChem CID176604087
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane
SMILESCCC1(COC=C2CCCCC2)COCCO1
InChIInChI=1S/C14H24O3/c1-2-14(11-15-8-9-17-14)12-16-10-13-6-4-3-5-7-13/h10H,2-9,11-12H2,1H3
InChIKeyKZVKTMIPSMUUPK-UHFFFAOYSA-N
XLogP3.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.05
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-(Cyclohexylidenemethoxymethyl)-1,4-dioxane
CID 176602915
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dioxane
CID 176603690
2-[2-(Cyclohexylidenemethoxy)ethyl]-1,4-dioxane
CID 176604064
2-(Cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane
CID 176604242
2-[1-(Cyclohexylidenemethoxy)ethyl]-1,4-dioxane
CID 176604425
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxirane
CID 176604663
2-(Cyclohexylidenemethoxymethyl)-2-methyl-1,4-dioxane
CID 176605260
2-(Cyclohexylidenemethoxymethyl)-2-methyloxane
CID 176605439
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dioxane
CID 176605441

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane (CID 176604087) is 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane is CCC1(COC=C2CCCCC2)COCCO1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane?
The InChIKey is KZVKTMIPSMUUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-14(11-15-8-9-17-14)12-16-10-13-6-4-3-5-7-13/h10H,2-9,11-12H2,1H3.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane?
2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane has a molecular weight of 240.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane is sourced from PubChem (CID 176604087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).