3,3-diethoxyprop-2-enylbenzene

C13H18O2 — CID 68782187

IUPAC3,3-diethoxyprop-2-enylbenzene
SMILESCCOC(=CCc1ccccc1)OCC
InChIInChI=1S/C13H18O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKeyMNRFKZHVSWWNAJ-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.14
Rot. Bonds6

About 3,3-diethoxyprop-2-enylbenzene

3,3-diethoxyprop-2-enylbenzene (PubChem CID 68782187) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3,3-diethoxyprop-2-enylbenzene.

Molecular Properties

Compound Name3,3-diethoxyprop-2-enylbenzene
PubChem CID68782187
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3,3-diethoxyprop-2-enylbenzene
SMILESCCOC(=CCc1ccccc1)OCC
InChIInChI=1S/C13H18O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKeyMNRFKZHVSWWNAJ-UHFFFAOYSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-3-chloro-5-phenylpent-3-enoate
CID 101341488
1-amino-3-phenylprop-1-en-1-ol
CID 67202427
3-(4-phenylbut-2-en-2-yloxy)but-2-enylbenzene
CID 141019817
ethyl (E)-2-(2-chlorophenyl)-4-phenylbut-2-enoate
CID 177411862
actinium;(Z)-4-phenylbut-2-en-2-ol
CID 22892787
ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate
CID 135062042
[(Z)-3-iodobut-2-enyl]benzene
CID 166908870
methyl (E)-2-methoxy-4-phenylbut-2-enoate
CID 11171761
diethyl 2-[(E)-4-phenylbut-2-enyl]propanedioate
CID 12793947
trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]-3-phenylprop-1-enoxy]silane
CID 71271588
ethyl 2-methyl-4-phenylbut-2-eneperoxoate
CID 173451384
ethyl (2S)-2-(2-phenylethylideneamino)propanoate
CID 57126105

Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxyprop-2-enylbenzene?
The IUPAC name of 3,3-diethoxyprop-2-enylbenzene (CID 68782187) is 3,3-diethoxyprop-2-enylbenzene.
What is the SMILES notation for 3,3-diethoxyprop-2-enylbenzene?
The canonical SMILES for 3,3-diethoxyprop-2-enylbenzene is CCOC(=CCc1ccccc1)OCC.
What is the InChIKey of 3,3-diethoxyprop-2-enylbenzene?
The InChIKey is MNRFKZHVSWWNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of 3,3-diethoxyprop-2-enylbenzene?
3,3-diethoxyprop-2-enylbenzene has a molecular weight of 206.28 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxyprop-2-enylbenzene is sourced from PubChem (CID 68782187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).