[(E)-2-ethoxyethenyl]cycloheptane

C11H20O — CID 134894027

IUPAC[(E)-2-ethoxyethenyl]cycloheptane
SMILESCCO/C=C/C1CCCCCC1
InChIInChI=1S/C11H20O/c1-2-12-10-9-11-7-5-3-4-6-8-11/h9-11H,2-8H2,1H3/b10-9+
InChIKeyZEYIUXMVEHYKLM-MDZDMXLPSA-N
MW168.28 g/mol
LogP3.51
Rot. Bonds3

About [(E)-2-ethoxyethenyl]cycloheptane

[(E)-2-ethoxyethenyl]cycloheptane (PubChem CID 134894027) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is [(E)-2-ethoxyethenyl]cycloheptane.

Molecular Properties

Compound Name[(E)-2-ethoxyethenyl]cycloheptane
PubChem CID134894027
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name[(E)-2-ethoxyethenyl]cycloheptane
SMILESCCO/C=C/C1CCCCCC1
InChIInChI=1S/C11H20O/c1-2-12-10-9-11-7-5-3-4-6-8-11/h9-11H,2-8H2,1H3/b10-9+
InChIKeyZEYIUXMVEHYKLM-MDZDMXLPSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.51
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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Related Compounds

[(E)-2-methoxyethenyl]cyclohexane
CID 12552145
[(Z)-2-methoxyethenyl]cyclohexane
CID 12552146
2-Methoxyethenylcyclohexane
CID 57065092
1-Ethoxy-4-methyl-1-nonene
CID 3023475
1-Ethoxy-4-methylnon-1-ene
CID 6366398
[4-(Methoxymethylidene)cyclohexyl]cycloheptane
CID 118360343
[(E)-2-ethoxyethenyl]cyclohexane
CID 13163949
(4Z)-4-(methoxymethylidene)-3-methylnon-1-ene
CID 101263092
1-Methoxy-3,6-dimethyl-1,7-octadiene
CID 129802357
(E)-1-ethoxy-3-ethylhex-1-ene
CID 134906000
(Z)-1-methoxy-3-methylnon-1-ene
CID 134987288
(6E)-6-(methoxymethylidene)-3,4-dimethylundecane
CID 135036682

Frequently Asked Questions

What is the IUPAC name of [(E)-2-ethoxyethenyl]cycloheptane?
The IUPAC name of [(E)-2-ethoxyethenyl]cycloheptane (CID 134894027) is [(E)-2-ethoxyethenyl]cycloheptane.
What is the SMILES notation for [(E)-2-ethoxyethenyl]cycloheptane?
The canonical SMILES for [(E)-2-ethoxyethenyl]cycloheptane is CCO/C=C/C1CCCCCC1.
What is the InChIKey of [(E)-2-ethoxyethenyl]cycloheptane?
The InChIKey is ZEYIUXMVEHYKLM-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H20O/c1-2-12-10-9-11-7-5-3-4-6-8-11/h9-11H,2-8H2,1H3/b10-9+.
What are the key properties of [(E)-2-ethoxyethenyl]cycloheptane?
[(E)-2-ethoxyethenyl]cycloheptane has a molecular weight of 168.28 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-ethoxyethenyl]cycloheptane is sourced from PubChem (CID 134894027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).