1-(ethenoxymethyl)-4-ethylcyclohexane

C11H20O — CID 20821889

IUPAC1-(ethenoxymethyl)-4-ethylcyclohexane
SMILESC=COCC1CCC(CC)CC1
InChIInChI=1S/C11H20O/c1-3-10-5-7-11(8-6-10)9-12-4-2/h4,10-11H,2-3,5-9H2,1H3
InChIKeyPQIAJYIECOESSW-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.36
Rot. Bonds4

About 1-(ethenoxymethyl)-4-ethylcyclohexane

1-(ethenoxymethyl)-4-ethylcyclohexane (PubChem CID 20821889) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(ethenoxymethyl)-4-ethylcyclohexane.

Molecular Properties

Compound Name1-(ethenoxymethyl)-4-ethylcyclohexane
PubChem CID20821889
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-(ethenoxymethyl)-4-ethylcyclohexane
SMILESC=COCC1CCC(CC)CC1
InChIInChI=1S/C11H20O/c1-3-10-5-7-11(8-6-10)9-12-4-2/h4,10-11H,2-3,5-9H2,1H3
InChIKeyPQIAJYIECOESSW-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethylcyclohexane?
The IUPAC name of 1-(ethenoxymethyl)-4-ethylcyclohexane (CID 20821889) is 1-(ethenoxymethyl)-4-ethylcyclohexane.
What is the SMILES notation for 1-(ethenoxymethyl)-4-ethylcyclohexane?
The canonical SMILES for 1-(ethenoxymethyl)-4-ethylcyclohexane is C=COCC1CCC(CC)CC1.
What is the InChIKey of 1-(ethenoxymethyl)-4-ethylcyclohexane?
The InChIKey is PQIAJYIECOESSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-10-5-7-11(8-6-10)9-12-4-2/h4,10-11H,2-3,5-9H2,1H3.
What are the key properties of 1-(ethenoxymethyl)-4-ethylcyclohexane?
1-(ethenoxymethyl)-4-ethylcyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethyl)-4-ethylcyclohexane is sourced from PubChem (CID 20821889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).