1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane

C11H20O2 — CID 22917925

IUPAC1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane
SMILESC=COCC1CCC(COC)CC1
InChIInChI=1S/C11H20O2/c1-3-13-9-11-6-4-10(5-7-11)8-12-2/h3,10-11H,1,4-9H2,2H3
InChIKeyWVHFGGHTYAAAFG-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.60
Rot. Bonds5

About 1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane

1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane (PubChem CID 22917925) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane
PubChem CID22917925
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane
SMILESC=COCC1CCC(COC)CC1
InChIInChI=1S/C11H20O2/c1-3-13-9-11-6-4-10(5-7-11)8-12-2/h3,10-11H,1,4-9H2,2H3
InChIKeyWVHFGGHTYAAAFG-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of 1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane?
The IUPAC name of 1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane (CID 22917925) is 1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane.
What is the SMILES notation for 1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane?
The canonical SMILES for 1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane is C=COCC1CCC(COC)CC1.
What is the InChIKey of 1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane?
The InChIKey is WVHFGGHTYAAAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-13-9-11-6-4-10(5-7-11)8-12-2/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane?
1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane has a molecular weight of 184.28 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane is sourced from PubChem (CID 22917925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).