1-ethenyl-4-(1-ethoxyethoxy)cyclohexane

C12H22O2 — CID 54053637

IUPAC1-ethenyl-4-(1-ethoxyethoxy)cyclohexane
SMILESC=CC1CCC(OC(C)OCC)CC1
InChIInChI=1S/C12H22O2/c1-4-11-6-8-12(9-7-11)14-10(3)13-5-2/h4,10-12H,1,5-9H2,2-3H3
InChIKeyLURMEKQTTKANLQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.13
Rot. Bonds5

About 1-ethenyl-4-(1-ethoxyethoxy)cyclohexane

1-ethenyl-4-(1-ethoxyethoxy)cyclohexane (PubChem CID 54053637) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-ethenyl-4-(1-ethoxyethoxy)cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-(1-ethoxyethoxy)cyclohexane
PubChem CID54053637
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-ethenyl-4-(1-ethoxyethoxy)cyclohexane
SMILESC=CC1CCC(OC(C)OCC)CC1
InChIInChI=1S/C12H22O2/c1-4-11-6-8-12(9-7-11)14-10(3)13-5-2/h4,10-12H,1,5-9H2,2-3H3
InChIKeyLURMEKQTTKANLQ-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(1-ethoxyethoxy)cyclohexane?
The IUPAC name of 1-ethenyl-4-(1-ethoxyethoxy)cyclohexane (CID 54053637) is 1-ethenyl-4-(1-ethoxyethoxy)cyclohexane.
What is the SMILES notation for 1-ethenyl-4-(1-ethoxyethoxy)cyclohexane?
The canonical SMILES for 1-ethenyl-4-(1-ethoxyethoxy)cyclohexane is C=CC1CCC(OC(C)OCC)CC1.
What is the InChIKey of 1-ethenyl-4-(1-ethoxyethoxy)cyclohexane?
The InChIKey is LURMEKQTTKANLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-11-6-8-12(9-7-11)14-10(3)13-5-2/h4,10-12H,1,5-9H2,2-3H3.
What are the key properties of 1-ethenyl-4-(1-ethoxyethoxy)cyclohexane?
1-ethenyl-4-(1-ethoxyethoxy)cyclohexane has a molecular weight of 198.31 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(1-ethoxyethoxy)cyclohexane is sourced from PubChem (CID 54053637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).