3-[1-(cyclohexylidenemethoxy)ethyl]oxane

C14H24O2 — CID 176605391

IUPAC3-[1-(cyclohexylidenemethoxy)ethyl]oxane
SMILESCC(OC=C1CCCCC1)C1CCCOC1
InChIInChI=1S/C14H24O2/c1-12(14-8-5-9-15-11-14)16-10-13-6-3-2-4-7-13/h10,12,14H,2-9,11H2,1H3
InChIKeyIGSBRTGCKPBPKN-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.67
Rot. Bonds3

About 3-[1-(cyclohexylidenemethoxy)ethyl]oxane

3-[1-(cyclohexylidenemethoxy)ethyl]oxane (PubChem CID 176605391) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-[1-(cyclohexylidenemethoxy)ethyl]oxane.

Molecular Properties

Compound Name3-[1-(cyclohexylidenemethoxy)ethyl]oxane
PubChem CID176605391
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-[1-(cyclohexylidenemethoxy)ethyl]oxane
SMILESCC(OC=C1CCCCC1)C1CCCOC1
InChIInChI=1S/C14H24O2/c1-12(14-8-5-9-15-11-14)16-10-13-6-3-2-4-7-13/h10,12,14H,2-9,11H2,1H3
InChIKeyIGSBRTGCKPBPKN-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

5-ethyl-2-(6-propyloxan-3-yl)-3,4-dihydro-2H-pyran
CID 118359286
5-methyl-2-(6-methyloxan-3-yl)-3,4-dihydro-2H-pyran
CID 126703828
3-[1-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176602951
4-[1-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176602976
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxane
CID 176603231
4-[2-(Cyclohexylidenemethoxy)ethyl]-3-methyloxane
CID 176603426
3-[1-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176603720
3-(Cyclohexylidenemethoxymethyl)oxane
CID 176604204
3-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyloxane
CID 176604926
4-[3-(Cyclohexylidenemethoxy)propyl]oxane
CID 176605226
4-[2-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176605365
3-(1-Methoxyethyl)-4-methylideneoxane
CID 13227833

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylidenemethoxy)ethyl]oxane?
The IUPAC name of 3-[1-(cyclohexylidenemethoxy)ethyl]oxane (CID 176605391) is 3-[1-(cyclohexylidenemethoxy)ethyl]oxane.
What is the SMILES notation for 3-[1-(cyclohexylidenemethoxy)ethyl]oxane?
The canonical SMILES for 3-[1-(cyclohexylidenemethoxy)ethyl]oxane is CC(OC=C1CCCCC1)C1CCCOC1.
What is the InChIKey of 3-[1-(cyclohexylidenemethoxy)ethyl]oxane?
The InChIKey is IGSBRTGCKPBPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-12(14-8-5-9-15-11-14)16-10-13-6-3-2-4-7-13/h10,12,14H,2-9,11H2,1H3.
What are the key properties of 3-[1-(cyclohexylidenemethoxy)ethyl]oxane?
3-[1-(cyclohexylidenemethoxy)ethyl]oxane has a molecular weight of 224.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylidenemethoxy)ethyl]oxane is sourced from PubChem (CID 176605391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).