1-(2-ethoxyethoxy)-4-methylidenecyclohexane

C11H20O2 — CID 91464259

IUPAC1-(2-ethoxyethoxy)-4-methylidenecyclohexane
SMILESC=C1CCC(OCCOCC)CC1
InChIInChI=1S/C11H20O2/c1-3-12-8-9-13-11-6-4-10(2)5-7-11/h11H,2-9H2,1H3
InChIKeyMIFJABVJSVVJAO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.54
Rot. Bonds5

About 1-(2-ethoxyethoxy)-4-methylidenecyclohexane

1-(2-ethoxyethoxy)-4-methylidenecyclohexane (PubChem CID 91464259) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-4-methylidenecyclohexane
PubChem CID91464259
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(2-ethoxyethoxy)-4-methylidenecyclohexane
SMILESC=C1CCC(OCCOCC)CC1
InChIInChI=1S/C11H20O2/c1-3-12-8-9-13-11-6-4-10(2)5-7-11/h11H,2-9H2,1H3
InChIKeyMIFJABVJSVVJAO-UHFFFAOYSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cyclohexanol, 1-methoxy-3-methylene-, (+-)-
CID 145304
1-Ethoxy-2-fluoro-4-methylidenecyclohexane
CID 91248539
2-Fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane
CID 91444583
1-Ethoxy-2-methylidenecyclohexane
CID 13740583
1-Methoxy-4-methylidenecyclohexane
CID 13808286
3-Methylbut-3-enoxycyclohexane
CID 21270362
1,2-Bis(3-methylbut-3-enoxy)cyclohexane
CID 24957523
2-Methylhex-1-enoxycyclohexane
CID 57200948
1-(2-Methoxyethoxy)-4-methylidenecyclohexane
CID 58902720
1-Butoxy-4-methylidenecyclohexane
CID 59498894
[(E)-2-methylhex-1-enoxy]cyclohexane
CID 67939074
2-(ethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran
CID 70503984

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-4-methylidenecyclohexane?
The IUPAC name of 1-(2-ethoxyethoxy)-4-methylidenecyclohexane (CID 91464259) is 1-(2-ethoxyethoxy)-4-methylidenecyclohexane.
What is the SMILES notation for 1-(2-ethoxyethoxy)-4-methylidenecyclohexane?
The canonical SMILES for 1-(2-ethoxyethoxy)-4-methylidenecyclohexane is C=C1CCC(OCCOCC)CC1.
What is the InChIKey of 1-(2-ethoxyethoxy)-4-methylidenecyclohexane?
The InChIKey is MIFJABVJSVVJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-12-8-9-13-11-6-4-10(2)5-7-11/h11H,2-9H2,1H3.
What are the key properties of 1-(2-ethoxyethoxy)-4-methylidenecyclohexane?
1-(2-ethoxyethoxy)-4-methylidenecyclohexane has a molecular weight of 184.28 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-4-methylidenecyclohexane is sourced from PubChem (CID 91464259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).