2-diethylarsanyl-3-phenylprop-2-enal

C13H17AsO — CID 87880791

IUPAC2-diethylarsanyl-3-phenylprop-2-enal
SMILESCC[As](CC)C(C=O)=Cc1ccccc1
InChIInChI=1S/C13H17AsO/c1-3-14(4-2)13(11-15)10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKeyLKKMMUAYGIYXPU-UHFFFAOYSA-N
MW264.20 g/mol
LogP3.34
Rot. Bonds5

About 2-diethylarsanyl-3-phenylprop-2-enal

2-diethylarsanyl-3-phenylprop-2-enal (PubChem CID 87880791) has the molecular formula C13H17AsO and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-diethylarsanyl-3-phenylprop-2-enal.

Molecular Properties

Compound Name2-diethylarsanyl-3-phenylprop-2-enal
PubChem CID87880791
Molecular FormulaC13H17AsO
Molecular Weight264.20 g/mol
Exact Mass264.05
IUPAC Name2-diethylarsanyl-3-phenylprop-2-enal
SMILESCC[As](CC)C(C=O)=Cc1ccccc1
InChIInChI=1S/C13H17AsO/c1-3-14(4-2)13(11-15)10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKeyLKKMMUAYGIYXPU-UHFFFAOYSA-N
XLogP3.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diethylarsanyl-3-phenylprop-2-enal?
The IUPAC name of 2-diethylarsanyl-3-phenylprop-2-enal (CID 87880791) is 2-diethylarsanyl-3-phenylprop-2-enal.
What is the SMILES notation for 2-diethylarsanyl-3-phenylprop-2-enal?
The canonical SMILES for 2-diethylarsanyl-3-phenylprop-2-enal is CC[As](CC)C(C=O)=Cc1ccccc1.
What is the InChIKey of 2-diethylarsanyl-3-phenylprop-2-enal?
The InChIKey is LKKMMUAYGIYXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17AsO/c1-3-14(4-2)13(11-15)10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3.
What are the key properties of 2-diethylarsanyl-3-phenylprop-2-enal?
2-diethylarsanyl-3-phenylprop-2-enal has a molecular weight of 264.20 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethylarsanyl-3-phenylprop-2-enal is sourced from PubChem (CID 87880791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).