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

C14H24O3 — CID 176603397

IUPAC2-[3-(cyclohexylidenemethoxy)propyl]-1,4-dioxane
SMILESC(OCCCC1COCCO1)=C1CCCCC1
InChIInChI=1S/C14H24O3/c1-2-5-13(6-3-1)11-15-8-4-7-14-12-16-9-10-17-14/h11,14H,1-10,12H2
InChIKeyYDSFTIDVSZDOML-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.05
Rot. Bonds5

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

2-[3-(cyclohexylidenemethoxy)propyl]-1,4-dioxane (PubChem CID 176603397) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-[3-(cyclohexylidenemethoxy)propyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[3-(cyclohexylidenemethoxy)propyl]-1,4-dioxane
PubChem CID176603397
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-[3-(cyclohexylidenemethoxy)propyl]-1,4-dioxane
SMILESC(OCCCC1COCCO1)=C1CCCCC1
InChIInChI=1S/C14H24O3/c1-2-5-13(6-3-1)11-15-8-4-7-14-12-16-9-10-17-14/h11,14H,1-10,12H2
InChIKeyYDSFTIDVSZDOML-UHFFFAOYSA-N
XLogP3.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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
2-(Cyclohexylidenemethoxymethyl)oxolane
CID 176602984
3-(Cyclohexylidenemethoxy)oxane
CID 176603061
3-(Cyclohexylidenemethoxy)oxepane
CID 176603299
2-[2-(Cyclohexylidenemethoxy)ethyl]-1,4-dioxane
CID 176604064
2-[1-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176604355
2-[1-(Cyclohexylidenemethoxy)ethyl]-1,4-dioxane
CID 176604425
2-[3-(Cyclopentylidenemethoxy)propyl]-1,4-dioxane
CID 176604757
2-(Cyclohexylidenemethoxymethyl)oxane
CID 176604786
4-(Cyclohexylidenemethoxy)oxane
CID 176605414

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]-1,4-dioxane?
The IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]-1,4-dioxane (CID 176603397) is 2-[3-(cyclohexylidenemethoxy)propyl]-1,4-dioxane.
What is the SMILES notation for 2-[3-(cyclohexylidenemethoxy)propyl]-1,4-dioxane?
The canonical SMILES for 2-[3-(cyclohexylidenemethoxy)propyl]-1,4-dioxane is C(OCCCC1COCCO1)=C1CCCCC1.
What is the InChIKey of 2-[3-(cyclohexylidenemethoxy)propyl]-1,4-dioxane?
The InChIKey is YDSFTIDVSZDOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-5-13(6-3-1)11-15-8-4-7-14-12-16-9-10-17-14/h11,14H,1-10,12H2.
What are the key properties of 2-[3-(cyclohexylidenemethoxy)propyl]-1,4-dioxane?
2-[3-(cyclohexylidenemethoxy)propyl]-1,4-dioxane has a molecular weight of 240.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylidenemethoxy)propyl]-1,4-dioxane is sourced from PubChem (CID 176603397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).