ethyl 2-ethyl-2-phenylselanylpentanoate

C15H22O2Se — CID 101460067

IUPACethyl 2-ethyl-2-phenylselanylpentanoate
SMILESCCCC(CC)([Se]c1ccccc1)C(=O)OCC
InChIInChI=1S/C15H22O2Se/c1-4-12-15(5-2,14(16)17-6-3)18-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3
InChIKeyWOQQKDSEAGYTAK-UHFFFAOYSA-N
MW313.30 g/mol
LogP2.95
Rot. Bonds7

About ethyl 2-ethyl-2-phenylselanylpentanoate

ethyl 2-ethyl-2-phenylselanylpentanoate (PubChem CID 101460067) has the molecular formula C15H22O2Se and a molecular weight of 313.30 g/mol. Its IUPAC name is ethyl 2-ethyl-2-phenylselanylpentanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-phenylselanylpentanoate
PubChem CID101460067
Molecular FormulaC15H22O2Se
Molecular Weight313.30 g/mol
Exact Mass314.08
IUPAC Nameethyl 2-ethyl-2-phenylselanylpentanoate
SMILESCCCC(CC)([Se]c1ccccc1)C(=O)OCC
InChIInChI=1S/C15H22O2Se/c1-4-12-15(5-2,14(16)17-6-3)18-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3
InChIKeyWOQQKDSEAGYTAK-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-ethyl-2-phenylselanylpent-4-enoate
CID 12012723
3-O-benzyl 1-O-ethyl 2,2-dipropylpropanedioate
CID 175178749
diethyl 2-[[2-[2,2-bis(ethoxycarbonyl)pentyl]phenyl]methyl]-2-propylpropanedioate
CID 95932035
2-benzyl-2-ethoxycarbonylpentanoic acid
CID 103973697
2-[(2-bromophenyl)methyl]-2-ethoxycarbonylpentanoic acid
CID 103974175
ethyl 2-phenylselanyl-2-propan-2-ylpent-4-enoate
CID 12012726
ethyl 2-(benzhydrylideneamino)-2-methylpentanoate
CID 178012023
3-ethoxycarbonyl-3-phenylpentanoic acid
CID 175261723
ethyl (2S)-2-bromo-2-methyl-3-oxo-3-phenylpropanoate
CID 101364316
ethyl 2-methyl-2-(phenylcarbamoyl)butanoate
CID 142008434
ethyl 2-anilino-2-methylheptanoate
CID 80558019
ethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate
CID 83051907

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-phenylselanylpentanoate?
The IUPAC name of ethyl 2-ethyl-2-phenylselanylpentanoate (CID 101460067) is ethyl 2-ethyl-2-phenylselanylpentanoate.
What is the SMILES notation for ethyl 2-ethyl-2-phenylselanylpentanoate?
The canonical SMILES for ethyl 2-ethyl-2-phenylselanylpentanoate is CCCC(CC)([Se]c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-ethyl-2-phenylselanylpentanoate?
The InChIKey is WOQQKDSEAGYTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2Se/c1-4-12-15(5-2,14(16)17-6-3)18-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3.
What are the key properties of ethyl 2-ethyl-2-phenylselanylpentanoate?
ethyl 2-ethyl-2-phenylselanylpentanoate has a molecular weight of 313.30 g/mol, XLogP of 2.95, 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-phenylselanylpentanoate is sourced from PubChem (CID 101460067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).