[(E)-3-ethoxyprop-1-enyl]cyclohexane

C11H20O — CID 5358350

IUPAC[(E)-3-ethoxyprop-1-enyl]cyclohexane
SMILESCCOC/C=C/C1CCCCC1
InChIInChI=1S/C11H20O/c1-2-12-10-6-9-11-7-4-3-5-8-11/h6,9,11H,2-5,7-8,10H2,1H3/b9-6+
InChIKeyNJWPGOKLYAEYHL-RMKNXTFCSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds4

About [(E)-3-ethoxyprop-1-enyl]cyclohexane

[(E)-3-ethoxyprop-1-enyl]cyclohexane (PubChem CID 5358350) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is [(E)-3-ethoxyprop-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-3-ethoxyprop-1-enyl]cyclohexane
PubChem CID5358350
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name[(E)-3-ethoxyprop-1-enyl]cyclohexane
SMILESCCOC/C=C/C1CCCCC1
InChIInChI=1S/C11H20O/c1-2-12-10-6-9-11-7-4-3-5-8-11/h6,9,11H,2-5,7-8,10H2,1H3/b9-6+
InChIKeyNJWPGOKLYAEYHL-RMKNXTFCSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 [(E)-3-ethoxyprop-1-enyl]cyclohexane?
The IUPAC name of [(E)-3-ethoxyprop-1-enyl]cyclohexane (CID 5358350) is [(E)-3-ethoxyprop-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-3-ethoxyprop-1-enyl]cyclohexane?
The canonical SMILES for [(E)-3-ethoxyprop-1-enyl]cyclohexane is CCOC/C=C/C1CCCCC1.
What is the InChIKey of [(E)-3-ethoxyprop-1-enyl]cyclohexane?
The InChIKey is NJWPGOKLYAEYHL-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H20O/c1-2-12-10-6-9-11-7-4-3-5-8-11/h6,9,11H,2-5,7-8,10H2,1H3/b9-6+.
What are the key properties of [(E)-3-ethoxyprop-1-enyl]cyclohexane?
[(E)-3-ethoxyprop-1-enyl]cyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-ethoxyprop-1-enyl]cyclohexane is sourced from PubChem (CID 5358350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).