(E)-2-phenylselanylpent-2-enal

C11H12OSe — CID 139265537

IUPAC(E)-2-phenylselanylpent-2-enal
SMILESCC/C=C(\C=O)[Se]c1ccccc1
InChIInChI=1S/C11H12OSe/c1-2-6-11(9-12)13-10-7-4-3-5-8-10/h3-9H,2H2,1H3/b11-6+
InChIKeyWKDMIMMUYDJJNL-IZZDOVSWSA-N
MW239.18 g/mol
LogP1.51
Rot. Bonds4

About (E)-2-phenylselanylpent-2-enal

(E)-2-phenylselanylpent-2-enal (PubChem CID 139265537) has the molecular formula C11H12OSe and a molecular weight of 239.18 g/mol. Its IUPAC name is (E)-2-phenylselanylpent-2-enal.

Molecular Properties

Compound Name(E)-2-phenylselanylpent-2-enal
PubChem CID139265537
Molecular FormulaC11H12OSe
Molecular Weight239.18 g/mol
Exact Mass240.01
IUPAC Name(E)-2-phenylselanylpent-2-enal
SMILESCC/C=C(\C=O)[Se]c1ccccc1
InChIInChI=1S/C11H12OSe/c1-2-6-11(9-12)13-10-7-4-3-5-8-10/h3-9H,2H2,1H3/b11-6+
InChIKeyWKDMIMMUYDJJNL-IZZDOVSWSA-N
XLogP1.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 51.51
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 (E)-2-phenylselanylpent-2-enal?
The IUPAC name of (E)-2-phenylselanylpent-2-enal (CID 139265537) is (E)-2-phenylselanylpent-2-enal.
What is the SMILES notation for (E)-2-phenylselanylpent-2-enal?
The canonical SMILES for (E)-2-phenylselanylpent-2-enal is CC/C=C(\C=O)[Se]c1ccccc1.
What is the InChIKey of (E)-2-phenylselanylpent-2-enal?
The InChIKey is WKDMIMMUYDJJNL-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H12OSe/c1-2-6-11(9-12)13-10-7-4-3-5-8-10/h3-9H,2H2,1H3/b11-6+.
What are the key properties of (E)-2-phenylselanylpent-2-enal?
(E)-2-phenylselanylpent-2-enal has a molecular weight of 239.18 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenylselanylpent-2-enal is sourced from PubChem (CID 139265537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).