ethyl 2-ethyl-2-phenylselanylpent-4-enoate

C15H20O2Se — CID 12012723

IUPACethyl 2-ethyl-2-phenylselanylpent-4-enoate
SMILESC=CCC(CC)([Se]c1ccccc1)C(=O)OCC
InChIInChI=1S/C15H20O2Se/c1-4-12-15(5-2,14(16)17-6-3)18-13-10-8-7-9-11-13/h4,7-11H,1,5-6,12H2,2-3H3
InChIKeyGAVPGVBEUXLQTO-UHFFFAOYSA-N
MW311.28 g/mol
LogP2.72
Rot. Bonds7

About ethyl 2-ethyl-2-phenylselanylpent-4-enoate

ethyl 2-ethyl-2-phenylselanylpent-4-enoate (PubChem CID 12012723) has the molecular formula C15H20O2Se and a molecular weight of 311.28 g/mol. Its IUPAC name is ethyl 2-ethyl-2-phenylselanylpent-4-enoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-phenylselanylpent-4-enoate
PubChem CID12012723
Molecular FormulaC15H20O2Se
Molecular Weight311.28 g/mol
Exact Mass312.06
IUPAC Nameethyl 2-ethyl-2-phenylselanylpent-4-enoate
SMILESC=CCC(CC)([Se]c1ccccc1)C(=O)OCC
InChIInChI=1S/C15H20O2Se/c1-4-12-15(5-2,14(16)17-6-3)18-13-10-8-7-9-11-13/h4,7-11H,1,5-6,12H2,2-3H3
InChIKeyGAVPGVBEUXLQTO-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 2-ethyl-2-phenylselanylpent-4-enoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-ethyl-2-phenylselanylpentanoate
CID 101460067
ethyl 2-phenylselanyl-2-propan-2-ylpent-4-enoate
CID 12012726
diethyl 2-but-3-enyl-2-(2-phenylselanylethyl)propanedioate
CID 10500974
ethyl (2S)-2-acetyl-2-benzylpent-4-enoate
CID 134961684
2-ethoxycarbonyl-2-(2-fluorophenyl)pent-4-enoic acid
CID 103974975
ethyl 2,3-dicyano-2-ethyl-3-phenylbutanoate
CID 117065662
ethyl 2-acetyl-2-(3-oxo-3-phenylpropyl)pent-4-enoate
CID 53359657
1-O-methyl 3-O-(phenylselanylmethyl) 2-methyl-2-prop-2-enylpropanedioate
CID 171750511
(2R)-2-ethoxycarbonyl-2-(phenylmethoxycarbonylamino)pent-4-enoic acid
CID 11823394
ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate
CID 15139256
ethyl 2-amino-2-methylpent-4-enoate
CID 10103394
ethyl 2-(4-fluorophenyl)-2-(trifluoromethylsulfanyl)pent-4-enoate
CID 126961913

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-phenylselanylpent-4-enoate?
The IUPAC name of ethyl 2-ethyl-2-phenylselanylpent-4-enoate (CID 12012723) is ethyl 2-ethyl-2-phenylselanylpent-4-enoate.
What is the SMILES notation for ethyl 2-ethyl-2-phenylselanylpent-4-enoate?
The canonical SMILES for ethyl 2-ethyl-2-phenylselanylpent-4-enoate is C=CCC(CC)([Se]c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-ethyl-2-phenylselanylpent-4-enoate?
The InChIKey is GAVPGVBEUXLQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2Se/c1-4-12-15(5-2,14(16)17-6-3)18-13-10-8-7-9-11-13/h4,7-11H,1,5-6,12H2,2-3H3.
What are the key properties of ethyl 2-ethyl-2-phenylselanylpent-4-enoate?
ethyl 2-ethyl-2-phenylselanylpent-4-enoate has a molecular weight of 311.28 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-phenylselanylpent-4-enoate is sourced from PubChem (CID 12012723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).