1-(ethenoxymethyl)-4-(prop-2-enoxymethyl)cyclohexane

C13H22O2 — CID 126706411

IUPAC1-(ethenoxymethyl)-4-(prop-2-enoxymethyl)cyclohexane
SMILESC=CCOCC1CCC(COC=C)CC1
InChIInChI=1S/C13H22O2/c1-3-9-15-11-13-7-5-12(6-8-13)10-14-4-2/h3-4,12-13H,1-2,5-11H2
InChIKeyWRRYQZIBOFZQOR-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.16
Rot. Bonds7

About 1-(ethenoxymethyl)-4-(prop-2-enoxymethyl)cyclohexane

1-(ethenoxymethyl)-4-(prop-2-enoxymethyl)cyclohexane (PubChem CID 126706411) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(ethenoxymethyl)-4-(prop-2-enoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(ethenoxymethyl)-4-(prop-2-enoxymethyl)cyclohexane
PubChem CID126706411
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-(ethenoxymethyl)-4-(prop-2-enoxymethyl)cyclohexane
SMILESC=CCOCC1CCC(COC=C)CC1
InChIInChI=1S/C13H22O2/c1-3-9-15-11-13-7-5-12(6-8-13)10-14-4-2/h3-4,12-13H,1-2,5-11H2
InChIKeyWRRYQZIBOFZQOR-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-(ethenoxymethyl)-4-(prop-2-enoxymethyl)cyclohexane?
The IUPAC name of 1-(ethenoxymethyl)-4-(prop-2-enoxymethyl)cyclohexane (CID 126706411) is 1-(ethenoxymethyl)-4-(prop-2-enoxymethyl)cyclohexane.
What is the SMILES notation for 1-(ethenoxymethyl)-4-(prop-2-enoxymethyl)cyclohexane?
The canonical SMILES for 1-(ethenoxymethyl)-4-(prop-2-enoxymethyl)cyclohexane is C=CCOCC1CCC(COC=C)CC1.
What is the InChIKey of 1-(ethenoxymethyl)-4-(prop-2-enoxymethyl)cyclohexane?
The InChIKey is WRRYQZIBOFZQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-9-15-11-13-7-5-12(6-8-13)10-14-4-2/h3-4,12-13H,1-2,5-11H2.
What are the key properties of 1-(ethenoxymethyl)-4-(prop-2-enoxymethyl)cyclohexane?
1-(ethenoxymethyl)-4-(prop-2-enoxymethyl)cyclohexane has a molecular weight of 210.32 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethyl)-4-(prop-2-enoxymethyl)cyclohexane is sourced from PubChem (CID 126706411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).