1-ethenoxy-1-prop-2-enylcyclohexane

C11H18O — CID 11535617

IUPAC1-ethenoxy-1-prop-2-enylcyclohexane
SMILESC=CCC1(OC=C)CCCCC1
InChIInChI=1S/C11H18O/c1-3-8-11(12-4-2)9-6-5-7-10-11/h3-4H,1-2,5-10H2
InChIKeyZFAXUOJXXXZOIM-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.43
Rot. Bonds4

About 1-ethenoxy-1-prop-2-enylcyclohexane

1-ethenoxy-1-prop-2-enylcyclohexane (PubChem CID 11535617) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-ethenoxy-1-prop-2-enylcyclohexane.

Molecular Properties

Compound Name1-ethenoxy-1-prop-2-enylcyclohexane
PubChem CID11535617
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-ethenoxy-1-prop-2-enylcyclohexane
SMILESC=CCC1(OC=C)CCCCC1
InChIInChI=1S/C11H18O/c1-3-8-11(12-4-2)9-6-5-7-10-11/h3-4H,1-2,5-10H2
InChIKeyZFAXUOJXXXZOIM-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-1-prop-2-enylcyclohexane?
The IUPAC name of 1-ethenoxy-1-prop-2-enylcyclohexane (CID 11535617) is 1-ethenoxy-1-prop-2-enylcyclohexane.
What is the SMILES notation for 1-ethenoxy-1-prop-2-enylcyclohexane?
The canonical SMILES for 1-ethenoxy-1-prop-2-enylcyclohexane is C=CCC1(OC=C)CCCCC1.
What is the InChIKey of 1-ethenoxy-1-prop-2-enylcyclohexane?
The InChIKey is ZFAXUOJXXXZOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-8-11(12-4-2)9-6-5-7-10-11/h3-4H,1-2,5-10H2.
What are the key properties of 1-ethenoxy-1-prop-2-enylcyclohexane?
1-ethenoxy-1-prop-2-enylcyclohexane has a molecular weight of 166.26 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1-prop-2-enylcyclohexane is sourced from PubChem (CID 11535617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).