diethoxymethylidenecyclohexane

C11H20O2 — CID 13085507

IUPACdiethoxymethylidenecyclohexane
SMILESCCOC(OCC)=C1CCCCC1
InChIInChI=1S/C11H20O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h3-9H2,1-2H3
InChIKeyJCQUOQKGIWVJKY-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.24
Rot. Bonds4

About diethoxymethylidenecyclohexane

diethoxymethylidenecyclohexane (PubChem CID 13085507) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is diethoxymethylidenecyclohexane.

Molecular Properties

Compound Namediethoxymethylidenecyclohexane
PubChem CID13085507
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namediethoxymethylidenecyclohexane
SMILESCCOC(OCC)=C1CCCCC1
InChIInChI=1S/C11H20O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h3-9H2,1-2H3
InChIKeyJCQUOQKGIWVJKY-UHFFFAOYSA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.24
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

[Cyclohexylidene(ethoxy)methoxy]-trimethylsilane
CID 11770227
Lithium cyclohexylidene(methoxy)methanolate
CID 23666053
lithium (Z)-cyclohexylidene(methoxy)methanolate
CID 134831327
6-iodo-2-propoxy-3-propyl-4H-pyran
CID 53692507
6-bromo-2-propoxy-3-propyl-4H-pyran
CID 54192676
3-(Diethoxymethylidene)pentane
CID 139619704
[Cyclohexylidene(methoxy)methoxy] thiohypoiodite;ethane
CID 144130466
2-Cyclohexylidene-1,3-dioxane
CID 152301127
1,1-Diethoxy-2-methylbut-1-ene
CID 160357709
3-[Ethoxy(propoxy)methylidene]pentane
CID 173420806
Dimethoxymethylidenecyclohexane
CID 13085508
Cyclohexylidene(ethoxy)methanol
CID 14223206

Frequently Asked Questions

What is the IUPAC name of diethoxymethylidenecyclohexane?
The IUPAC name of diethoxymethylidenecyclohexane (CID 13085507) is diethoxymethylidenecyclohexane.
What is the SMILES notation for diethoxymethylidenecyclohexane?
The canonical SMILES for diethoxymethylidenecyclohexane is CCOC(OCC)=C1CCCCC1.
What is the InChIKey of diethoxymethylidenecyclohexane?
The InChIKey is JCQUOQKGIWVJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h3-9H2,1-2H3.
What are the key properties of diethoxymethylidenecyclohexane?
diethoxymethylidenecyclohexane has a molecular weight of 184.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethylidenecyclohexane is sourced from PubChem (CID 13085507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).