1-[2-(2-ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane

C14H24O3 — CID 156647449

IUPAC1-[2-(2-ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane
SMILESC=C1CCC(=COCCOCCOCC)CC1
InChIInChI=1S/C14H24O3/c1-3-15-8-9-16-10-11-17-12-14-6-4-13(2)5-7-14/h12H,2-11H2,1H3
InChIKeyDCGJFJQCEOODBZ-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.07
Rot. Bonds8

About 1-[2-(2-ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane

1-[2-(2-ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane (PubChem CID 156647449) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-[2-(2-ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane
PubChem CID156647449
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name1-[2-(2-ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane
SMILESC=C1CCC(=COCCOCCOCC)CC1
InChIInChI=1S/C14H24O3/c1-3-15-8-9-16-10-11-17-12-14-6-4-13(2)5-7-14/h12H,2-11H2,1H3
InChIKeyDCGJFJQCEOODBZ-UHFFFAOYSA-N
XLogP3.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.07
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Methoxymethylene)cyclohexane
CID 12261950
Butoxymethylidenecyclohexane
CID 12794829
(Ethoxymethylene)cyclohexane
CID 12361524
3-(2-Butoxyethoxymethylidene)pentane
CID 22234796
(E)-1-(2-ethoxyethoxy)-2-methylbut-1-ene
CID 22234804
3-(2-Methoxyethoxymethylidene)pentane
CID 22234816
3-(2-Ethoxyethoxymethylidene)pentane
CID 22234834
1,4-Bis(methoxymethylidene)cyclohexane
CID 53861251
2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran
CID 70503984
1-(2-Ethoxyethoxy)-2-methylbut-1-ene
CID 73877097
1,1,2,2,3,3,4,4,5,5-Decadeuterio-6-(methoxymethylidene)cyclohexane
CID 89398682
Propoxymethylidenecyclohexane
CID 140106535

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane?
The IUPAC name of 1-[2-(2-ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane (CID 156647449) is 1-[2-(2-ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane.
What is the SMILES notation for 1-[2-(2-ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane?
The canonical SMILES for 1-[2-(2-ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane is C=C1CCC(=COCCOCCOCC)CC1.
What is the InChIKey of 1-[2-(2-ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane?
The InChIKey is DCGJFJQCEOODBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-15-8-9-16-10-11-17-12-14-6-4-13(2)5-7-14/h12H,2-11H2,1H3.
What are the key properties of 1-[2-(2-ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane?
1-[2-(2-ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane has a molecular weight of 240.34 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyethoxy)ethoxymethylidene]-4-methylidenecyclohexane is sourced from PubChem (CID 156647449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).