2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane

C16H28O3 — CID 176604590

IUPAC2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane
SMILESCCC1(CCCOC=C2CCCCC2)COCCO1
InChIInChI=1S/C16H28O3/c1-2-16(14-18-11-12-19-16)9-6-10-17-13-15-7-4-3-5-8-15/h13H,2-12,14H2,1H3
InChIKeyKWXJHGXUPLQFLJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.83
Rot. Bonds6

About 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane

2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane (PubChem CID 176604590) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane.

Molecular Properties

Compound Name2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane
PubChem CID176604590
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane
SMILESCCC1(CCCOC=C2CCCCC2)COCCO1
InChIInChI=1S/C16H28O3/c1-2-16(14-18-11-12-19-16)9-6-10-17-13-15-7-4-3-5-8-15/h13H,2-12,14H2,1H3
InChIKeyKWXJHGXUPLQFLJ-UHFFFAOYSA-N
XLogP3.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.83
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-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxane
CID 176603481
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane
CID 176603886
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane
CID 176605128
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxane
CID 176605326
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxolane
CID 176605337
2-(Cyclohexylidenemethoxymethyl)-2-methyloxane
CID 176605439

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane?
The IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane (CID 176604590) is 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane.
What is the SMILES notation for 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane?
The canonical SMILES for 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane is CCC1(CCCOC=C2CCCCC2)COCCO1.
What is the InChIKey of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane?
The InChIKey is KWXJHGXUPLQFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-2-16(14-18-11-12-19-16)9-6-10-17-13-15-7-4-3-5-8-15/h13H,2-12,14H2,1H3.
What are the key properties of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane?
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane has a molecular weight of 268.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane is sourced from PubChem (CID 176604590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).