[(E)-3,3-diethoxyprop-1-enyl]benzene

C13H18O2 — CID 5356250

IUPAC[(E)-3,3-diethoxyprop-1-enyl]benzene
SMILESCCOC(/C=C/c1ccccc1)OCC
InChIInChI=1S/C13H18O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-11,13H,3-4H2,1-2H3/b11-10+
InChIKeyVYKDEWVAUWARRX-ZHACJKMWSA-N
MW206.29 g/mol
LogP3.10
Rot. Bonds6

About [(E)-3,3-diethoxyprop-1-enyl]benzene

[(E)-3,3-diethoxyprop-1-enyl]benzene (PubChem CID 5356250) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is [(E)-3,3-diethoxyprop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3,3-diethoxyprop-1-enyl]benzene
PubChem CID5356250
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name[(E)-3,3-diethoxyprop-1-enyl]benzene
SMILESCCOC(/C=C/c1ccccc1)OCC
InChIInChI=1S/C13H18O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-11,13H,3-4H2,1-2H3/b11-10+
InChIKeyVYKDEWVAUWARRX-ZHACJKMWSA-N
XLogP3.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.10
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)-3,3-diethoxyprop-1-enyl]benzene?
The IUPAC name of [(E)-3,3-diethoxyprop-1-enyl]benzene (CID 5356250) is [(E)-3,3-diethoxyprop-1-enyl]benzene.
What is the SMILES notation for [(E)-3,3-diethoxyprop-1-enyl]benzene?
The canonical SMILES for [(E)-3,3-diethoxyprop-1-enyl]benzene is CCOC(/C=C/c1ccccc1)OCC.
What is the InChIKey of [(E)-3,3-diethoxyprop-1-enyl]benzene?
The InChIKey is VYKDEWVAUWARRX-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-11,13H,3-4H2,1-2H3/b11-10+.
What are the key properties of [(E)-3,3-diethoxyprop-1-enyl]benzene?
[(E)-3,3-diethoxyprop-1-enyl]benzene has a molecular weight of 206.29 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,3-diethoxyprop-1-enyl]benzene is sourced from PubChem (CID 5356250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).