1-phenylselanyloct-1-en-4-one

C14H18OSe — CID 71338882

IUPAC1-phenylselanyloct-1-en-4-one
SMILESCCCCC(=O)CC=C[Se]c1ccccc1
InChIInChI=1S/C14H18OSe/c1-2-3-8-13(15)9-7-12-16-14-10-5-4-6-11-14/h4-7,10-12H,2-3,8-9H2,1H3
InChIKeyNPVIIDDAGOJNQC-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.68
Rot. Bonds7

About 1-phenylselanyloct-1-en-4-one

1-phenylselanyloct-1-en-4-one (PubChem CID 71338882) has the molecular formula C14H18OSe and a molecular weight of 281.26 g/mol. Its IUPAC name is 1-phenylselanyloct-1-en-4-one.

Molecular Properties

Compound Name1-phenylselanyloct-1-en-4-one
PubChem CID71338882
Molecular FormulaC14H18OSe
Molecular Weight281.26 g/mol
Exact Mass282.05
IUPAC Name1-phenylselanyloct-1-en-4-one
SMILESCCCCC(=O)CC=C[Se]c1ccccc1
InChIInChI=1S/C14H18OSe/c1-2-3-8-13(15)9-7-12-16-14-10-5-4-6-11-14/h4-7,10-12H,2-3,8-9H2,1H3
InChIKeyNPVIIDDAGOJNQC-UHFFFAOYSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-phenylselanyloct-1-en-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenylselanyloct-1-en-4-one?
The IUPAC name of 1-phenylselanyloct-1-en-4-one (CID 71338882) is 1-phenylselanyloct-1-en-4-one.
What is the SMILES notation for 1-phenylselanyloct-1-en-4-one?
The canonical SMILES for 1-phenylselanyloct-1-en-4-one is CCCCC(=O)CC=C[Se]c1ccccc1.
What is the InChIKey of 1-phenylselanyloct-1-en-4-one?
The InChIKey is NPVIIDDAGOJNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OSe/c1-2-3-8-13(15)9-7-12-16-14-10-5-4-6-11-14/h4-7,10-12H,2-3,8-9H2,1H3.
What are the key properties of 1-phenylselanyloct-1-en-4-one?
1-phenylselanyloct-1-en-4-one has a molecular weight of 281.26 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylselanyloct-1-en-4-one is sourced from PubChem (CID 71338882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).