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

C14H24O3 — CID 176605441

IUPAC2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dioxane
SMILESCC1(CCOC=C2CCCCC2)COCCO1
InChIInChI=1S/C14H24O3/c1-14(12-16-9-10-17-14)7-8-15-11-13-5-3-2-4-6-13/h11H,2-10,12H2,1H3
InChIKeyIYAFIWQZQRSUKF-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.05
Rot. Bonds4

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

2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dioxane (PubChem CID 176605441) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dioxane.

Molecular Properties

Compound Name2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dioxane
PubChem CID176605441
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dioxane
SMILESCC1(CCOC=C2CCCCC2)COCCO1
InChIInChI=1S/C14H24O3/c1-14(12-16-9-10-17-14)7-8-15-11-13-5-3-2-4-6-13/h11H,2-10,12H2,1H3
InChIKeyIYAFIWQZQRSUKF-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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Cyclohexylidenemethoxymethyl)-1,4-dioxane
CID 176602915
3-(Cyclohexylidenemethoxy)oxane
CID 176603061
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dioxane
CID 176603690
2-[2-(Cyclohexylidenemethoxy)ethyl]-1,4-dioxane
CID 176604064
2-(Cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane
CID 176604087
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dioxane?
The IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dioxane (CID 176605441) is 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dioxane.
What is the SMILES notation for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dioxane?
The canonical SMILES for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dioxane is CC1(CCOC=C2CCCCC2)COCCO1.
What is the InChIKey of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dioxane?
The InChIKey is IYAFIWQZQRSUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-14(12-16-9-10-17-14)7-8-15-11-13-5-3-2-4-6-13/h11H,2-10,12H2,1H3.
What are the key properties of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dioxane?
2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-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-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dioxane is sourced from PubChem (CID 176605441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).