[(E)-4,4-diethoxybut-1-enyl]benzene

C14H20O2 — CID 11687201

IUPAC[(E)-4,4-diethoxybut-1-enyl]benzene
SMILESCCOC(C/C=C/c1ccccc1)OCC
InChIInChI=1S/C14H20O2/c1-3-15-14(16-4-2)12-8-11-13-9-6-5-7-10-13/h5-11,14H,3-4,12H2,1-2H3/b11-8+
InChIKeyHJWJGMBHZDRVHW-DHZHZOJOSA-N
MW220.31 g/mol
LogP3.49
Rot. Bonds7

About [(E)-4,4-diethoxybut-1-enyl]benzene

[(E)-4,4-diethoxybut-1-enyl]benzene (PubChem CID 11687201) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is [(E)-4,4-diethoxybut-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-4,4-diethoxybut-1-enyl]benzene
PubChem CID11687201
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name[(E)-4,4-diethoxybut-1-enyl]benzene
SMILESCCOC(C/C=C/c1ccccc1)OCC
InChIInChI=1S/C14H20O2/c1-3-15-14(16-4-2)12-8-11-13-9-6-5-7-10-13/h5-11,14H,3-4,12H2,1-2H3/b11-8+
InChIKeyHJWJGMBHZDRVHW-DHZHZOJOSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-4,4-diethoxybut-1-enyl]benzene?
The IUPAC name of [(E)-4,4-diethoxybut-1-enyl]benzene (CID 11687201) is [(E)-4,4-diethoxybut-1-enyl]benzene.
What is the SMILES notation for [(E)-4,4-diethoxybut-1-enyl]benzene?
The canonical SMILES for [(E)-4,4-diethoxybut-1-enyl]benzene is CCOC(C/C=C/c1ccccc1)OCC.
What is the InChIKey of [(E)-4,4-diethoxybut-1-enyl]benzene?
The InChIKey is HJWJGMBHZDRVHW-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-15-14(16-4-2)12-8-11-13-9-6-5-7-10-13/h5-11,14H,3-4,12H2,1-2H3/b11-8+.
What are the key properties of [(E)-4,4-diethoxybut-1-enyl]benzene?
[(E)-4,4-diethoxybut-1-enyl]benzene has a molecular weight of 220.31 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4,4-diethoxybut-1-enyl]benzene is sourced from PubChem (CID 11687201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).