[(E)-5,5-diethoxypent-1-enyl]benzene

C15H22O2 — CID 21423476

IUPAC[(E)-5,5-diethoxypent-1-enyl]benzene
SMILESCCOC(CC/C=C/c1ccccc1)OCC
InChIInChI=1S/C15H22O2/c1-3-16-15(17-4-2)13-9-8-12-14-10-6-5-7-11-14/h5-8,10-12,15H,3-4,9,13H2,1-2H3/b12-8+
InChIKeyLBBJKSRSEMJEPF-XYOKQWHBSA-N
MW234.34 g/mol
LogP3.88
Rot. Bonds8

About [(E)-5,5-diethoxypent-1-enyl]benzene

[(E)-5,5-diethoxypent-1-enyl]benzene (PubChem CID 21423476) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is [(E)-5,5-diethoxypent-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-5,5-diethoxypent-1-enyl]benzene
PubChem CID21423476
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name[(E)-5,5-diethoxypent-1-enyl]benzene
SMILESCCOC(CC/C=C/c1ccccc1)OCC
InChIInChI=1S/C15H22O2/c1-3-16-15(17-4-2)13-9-8-12-14-10-6-5-7-11-14/h5-8,10-12,15H,3-4,9,13H2,1-2H3/b12-8+
InChIKeyLBBJKSRSEMJEPF-XYOKQWHBSA-N
XLogP3.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.88
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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Related Compounds

ethyl 2-hydroxy-6-phenylhex-5-enoate
CID 69249152
6,6-diethoxy-1-phenylhex-2-en-1-one
CID 154199193
5-ethoxypent-1-enylbenzene
CID 54285670
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
(E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine
CID 14924550
5,5-diethoxypent-1-enoxymethoxymethylbenzene
CID 162392535
triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium
CID 15529550
diethoxymethyl(2-phenylethenyl)silane
CID 71327103
[(E,5R)-5-butylsulfanylhex-1-enyl]benzene
CID 102577338
benzene;but-1-enylbenzene
CID 157481332
[(E)-octadec-1-enyl]benzene
CID 22722345
[(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene
CID 100939369

Frequently Asked Questions

What is the IUPAC name of [(E)-5,5-diethoxypent-1-enyl]benzene?
The IUPAC name of [(E)-5,5-diethoxypent-1-enyl]benzene (CID 21423476) is [(E)-5,5-diethoxypent-1-enyl]benzene.
What is the SMILES notation for [(E)-5,5-diethoxypent-1-enyl]benzene?
The canonical SMILES for [(E)-5,5-diethoxypent-1-enyl]benzene is CCOC(CC/C=C/c1ccccc1)OCC.
What is the InChIKey of [(E)-5,5-diethoxypent-1-enyl]benzene?
The InChIKey is LBBJKSRSEMJEPF-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-16-15(17-4-2)13-9-8-12-14-10-6-5-7-11-14/h5-8,10-12,15H,3-4,9,13H2,1-2H3/b12-8+.
What are the key properties of [(E)-5,5-diethoxypent-1-enyl]benzene?
[(E)-5,5-diethoxypent-1-enyl]benzene has a molecular weight of 234.34 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5,5-diethoxypent-1-enyl]benzene is sourced from PubChem (CID 21423476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).