3-[2-(cyclohexylidenemethoxy)ethyl]oxane

C14H24O2 — CID 176604253

IUPAC3-[2-(cyclohexylidenemethoxy)ethyl]oxane
SMILESC(OCCC1CCCOC1)=C1CCCCC1
InChIInChI=1S/C14H24O2/c1-2-5-13(6-3-1)11-16-10-8-14-7-4-9-15-12-14/h11,14H,1-10,12H2
InChIKeyAUDBTSGBBYDJFE-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.67
Rot. Bonds4

About 3-[2-(cyclohexylidenemethoxy)ethyl]oxane

3-[2-(cyclohexylidenemethoxy)ethyl]oxane (PubChem CID 176604253) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-[2-(cyclohexylidenemethoxy)ethyl]oxane.

Molecular Properties

Compound Name3-[2-(cyclohexylidenemethoxy)ethyl]oxane
PubChem CID176604253
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-[2-(cyclohexylidenemethoxy)ethyl]oxane
SMILESC(OCCC1CCCOC1)=C1CCCCC1
InChIInChI=1S/C14H24O2/c1-2-5-13(6-3-1)11-16-10-8-14-7-4-9-15-12-14/h11,14H,1-10,12H2
InChIKeyAUDBTSGBBYDJFE-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-Methyl-4-[1-(2-methyloxan-4-yl)ethenoxymethyl]oxane
CID 142140596
4-[1-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176602976
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethyloxane
CID 176603273
4-[2-(Cyclohexylidenemethoxy)ethyl]-3-methyloxane
CID 176603426
3-(Cyclohexylidenemethoxymethyl)oxane
CID 176604204
4-(Cyclohexylidenemethoxymethyl)oxane
CID 176604614
4-(Cyclohexylidenemethoxymethyl)-4-ethyloxane
CID 176604688
3-[3-(Cyclohexylidenemethoxy)propyl]oxolane
CID 176604799
4-[3-(Cyclopentylidenemethoxy)propyl]oxane
CID 176604871
3-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyloxane
CID 176604926
3-[2-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176604943
4-(Cyclohexylidenemethoxymethyl)-4-methyloxane
CID 176604962

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]oxane?
The IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]oxane (CID 176604253) is 3-[2-(cyclohexylidenemethoxy)ethyl]oxane.
What is the SMILES notation for 3-[2-(cyclohexylidenemethoxy)ethyl]oxane?
The canonical SMILES for 3-[2-(cyclohexylidenemethoxy)ethyl]oxane is C(OCCC1CCCOC1)=C1CCCCC1.
What is the InChIKey of 3-[2-(cyclohexylidenemethoxy)ethyl]oxane?
The InChIKey is AUDBTSGBBYDJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-5-13(6-3-1)11-16-10-8-14-7-4-9-15-12-14/h11,14H,1-10,12H2.
What are the key properties of 3-[2-(cyclohexylidenemethoxy)ethyl]oxane?
3-[2-(cyclohexylidenemethoxy)ethyl]oxane has a molecular weight of 224.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylidenemethoxy)ethyl]oxane is sourced from PubChem (CID 176604253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).