1-[(E)-2-prop-2-enoxyethenyl]cyclohexene

C11H16O — CID 101497896

IUPAC1-[(E)-2-prop-2-enoxyethenyl]cyclohexene
SMILESC=CCO/C=C/C1=CCCCC1
InChIInChI=1S/C11H16O/c1-2-9-12-10-8-11-6-4-3-5-7-11/h2,6,8,10H,1,3-5,7,9H2/b10-8+
InChIKeyHHDYMVJPVAFINM-CSKARUKUSA-N
MW164.25 g/mol
LogP3.20
Rot. Bonds4

About 1-[(E)-2-prop-2-enoxyethenyl]cyclohexene

1-[(E)-2-prop-2-enoxyethenyl]cyclohexene (PubChem CID 101497896) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-[(E)-2-prop-2-enoxyethenyl]cyclohexene.

Molecular Properties

Compound Name1-[(E)-2-prop-2-enoxyethenyl]cyclohexene
PubChem CID101497896
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-[(E)-2-prop-2-enoxyethenyl]cyclohexene
SMILESC=CCO/C=C/C1=CCCCC1
InChIInChI=1S/C11H16O/c1-2-9-12-10-8-11-6-4-3-5-7-11/h2,6,8,10H,1,3-5,7,9H2/b10-8+
InChIKeyHHDYMVJPVAFINM-CSKARUKUSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(E)-2-prop-2-enoxyethenyl]cyclohexene?
The IUPAC name of 1-[(E)-2-prop-2-enoxyethenyl]cyclohexene (CID 101497896) is 1-[(E)-2-prop-2-enoxyethenyl]cyclohexene.
What is the SMILES notation for 1-[(E)-2-prop-2-enoxyethenyl]cyclohexene?
The canonical SMILES for 1-[(E)-2-prop-2-enoxyethenyl]cyclohexene is C=CCO/C=C/C1=CCCCC1.
What is the InChIKey of 1-[(E)-2-prop-2-enoxyethenyl]cyclohexene?
The InChIKey is HHDYMVJPVAFINM-CSKARUKUSA-N. The full InChI is InChI=1S/C11H16O/c1-2-9-12-10-8-11-6-4-3-5-7-11/h2,6,8,10H,1,3-5,7,9H2/b10-8+.
What are the key properties of 1-[(E)-2-prop-2-enoxyethenyl]cyclohexene?
1-[(E)-2-prop-2-enoxyethenyl]cyclohexene has a molecular weight of 164.25 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-prop-2-enoxyethenyl]cyclohexene is sourced from PubChem (CID 101497896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).