3-(cyclohexylidenemethoxy)oxane

C12H20O2 — CID 176603061

IUPAC3-(cyclohexylidenemethoxy)oxane
SMILESC(OC1CCCOC1)=C1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-5-11(6-3-1)9-14-12-7-4-8-13-10-12/h9,12H,1-8,10H2
InChIKeyUSCWVAHKJBTNLL-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.03
Rot. Bonds2

About 3-(cyclohexylidenemethoxy)oxane

3-(cyclohexylidenemethoxy)oxane (PubChem CID 176603061) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(cyclohexylidenemethoxy)oxane.

Molecular Properties

Compound Name3-(cyclohexylidenemethoxy)oxane
PubChem CID176603061
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-(cyclohexylidenemethoxy)oxane
SMILESC(OC1CCCOC1)=C1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-5-11(6-3-1)9-14-12-7-4-8-13-10-12/h9,12H,1-8,10H2
InChIKeyUSCWVAHKJBTNLL-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.03
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

2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran
CID 70503984
2-(Cyclohexylidenemethoxymethyl)-1,4-dioxane
CID 176602915
4-[1-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176602976
2-(Cyclopentylidenemethoxymethyl)oxane
CID 176603363
2-[3-(Cyclohexylidenemethoxy)propyl]-1,4-dioxane
CID 176603397
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
3-(Cyclopentylidenemethoxy)oxane
CID 176604530
2-(Cyclohexylidenemethoxymethyl)oxane
CID 176604786
2-[3-(Cyclohexylidenemethoxy)propyl]oxane
CID 176605196
4-(Cyclohexylidenemethoxy)oxane
CID 176605414

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethoxy)oxane?
The IUPAC name of 3-(cyclohexylidenemethoxy)oxane (CID 176603061) is 3-(cyclohexylidenemethoxy)oxane.
What is the SMILES notation for 3-(cyclohexylidenemethoxy)oxane?
The canonical SMILES for 3-(cyclohexylidenemethoxy)oxane is C(OC1CCCOC1)=C1CCCCC1.
What is the InChIKey of 3-(cyclohexylidenemethoxy)oxane?
The InChIKey is USCWVAHKJBTNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-5-11(6-3-1)9-14-12-7-4-8-13-10-12/h9,12H,1-8,10H2.
What are the key properties of 3-(cyclohexylidenemethoxy)oxane?
3-(cyclohexylidenemethoxy)oxane has a molecular weight of 196.29 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylidenemethoxy)oxane is sourced from PubChem (CID 176603061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).