benzaldehyde;ethene

C9H10O — CID 22005957

IUPACbenzaldehyde;ethene
SMILESC=C.O=Cc1ccccc1
InChIInChI=1S/C7H6O.C2H4/c8-6-7-4-2-1-3-5-7;1-2/h1-6H;1-2H2
InChIKeyZRISVYFJLQUQTK-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.30
Rot. Bonds1

About benzaldehyde;ethene

benzaldehyde;ethene (PubChem CID 22005957) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is benzaldehyde;ethene.

Molecular Properties

Compound Namebenzaldehyde;ethene
PubChem CID22005957
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Namebenzaldehyde;ethene
SMILESC=C.O=Cc1ccccc1
InChIInChI=1S/C7H6O.C2H4/c8-6-7-4-2-1-3-5-7;1-2/h1-6H;1-2H2
InChIKeyZRISVYFJLQUQTK-UHFFFAOYSA-N
XLogP2.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzaldehyde;hydrate
CID 86741597
sodium;benzaldehyde;formaldehyde;hydride
CID 173317417
benzaldehyde;ethane
CID 54495732
benzaldehyde;methanethiol
CID 142053607
benzaldehyde;formamide
CID 87258384
benzene;terephthalaldehyde
CID 163498156
benzaldehyde;ethane;methanol
CID 143448374
benzaldehyde;carbonic acid;hydrate
CID 173060917
benzaldehyde;naphthalene;hydroiodide
CID 174808118
benzaldehyde;N-ethenylethenamine
CID 18330714
benzaldehyde;bis(diiminoazanium);hydrobromide
CID 175371128
CID 22667463
CID 22667463

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;ethene?
The IUPAC name of benzaldehyde;ethene (CID 22005957) is benzaldehyde;ethene.
What is the SMILES notation for benzaldehyde;ethene?
The canonical SMILES for benzaldehyde;ethene is C=C.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;ethene?
The InChIKey is ZRISVYFJLQUQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O.C2H4/c8-6-7-4-2-1-3-5-7;1-2/h1-6H;1-2H2.
What are the key properties of benzaldehyde;ethene?
benzaldehyde;ethene has a molecular weight of 134.18 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;ethene is sourced from PubChem (CID 22005957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).