Se-phenyl (Z)-3-phenylselanylnon-2-eneselenoate

C21H24OSe2 — CID 10575525

IUPACSe-phenyl (Z)-3-phenylselanylnon-2-eneselenoate
SMILESCCCCCC/C(=C/C(=O)[Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C21H24OSe2/c1-2-3-4-7-16-20(23-18-12-8-5-9-13-18)17-21(22)24-19-14-10-6-11-15-19/h5-6,8-15,17H,2-4,7,16H2,1H3/b20-17-
InChIKeyYGSWANRLUWYKMM-JZJYNLBNSA-N
MW450.34 g/mol
LogP3.43
Rot. Bonds10

About Se-phenyl (Z)-3-phenylselanylnon-2-eneselenoate

Se-phenyl (Z)-3-phenylselanylnon-2-eneselenoate (PubChem CID 10575525) has the molecular formula C21H24OSe2 and a molecular weight of 450.34 g/mol. Its IUPAC name is Se-phenyl (Z)-3-phenylselanylnon-2-eneselenoate.

Molecular Properties

Compound NameSe-phenyl (Z)-3-phenylselanylnon-2-eneselenoate
PubChem CID10575525
Molecular FormulaC21H24OSe2
Molecular Weight450.34 g/mol
Exact Mass452.02
IUPAC NameSe-phenyl (Z)-3-phenylselanylnon-2-eneselenoate
SMILESCCCCCC/C(=C/C(=O)[Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C21H24OSe2/c1-2-3-4-7-16-20(23-18-12-8-5-9-13-18)17-21(22)24-19-14-10-6-11-15-19/h5-6,8-15,17H,2-4,7,16H2,1H3/b20-17-
InChIKeyYGSWANRLUWYKMM-JZJYNLBNSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 Se-phenyl (Z)-3-phenylselanylnon-2-eneselenoate?
The IUPAC name of Se-phenyl (Z)-3-phenylselanylnon-2-eneselenoate (CID 10575525) is Se-phenyl (Z)-3-phenylselanylnon-2-eneselenoate.
What is the SMILES notation for Se-phenyl (Z)-3-phenylselanylnon-2-eneselenoate?
The canonical SMILES for Se-phenyl (Z)-3-phenylselanylnon-2-eneselenoate is CCCCCC/C(=C/C(=O)[Se]c1ccccc1)[Se]c1ccccc1.
What is the InChIKey of Se-phenyl (Z)-3-phenylselanylnon-2-eneselenoate?
The InChIKey is YGSWANRLUWYKMM-JZJYNLBNSA-N. The full InChI is InChI=1S/C21H24OSe2/c1-2-3-4-7-16-20(23-18-12-8-5-9-13-18)17-21(22)24-19-14-10-6-11-15-19/h5-6,8-15,17H,2-4,7,16H2,1H3/b20-17-.
What are the key properties of Se-phenyl (Z)-3-phenylselanylnon-2-eneselenoate?
Se-phenyl (Z)-3-phenylselanylnon-2-eneselenoate has a molecular weight of 450.34 g/mol, XLogP of 3.43, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Se-phenyl (Z)-3-phenylselanylnon-2-eneselenoate is sourced from PubChem (CID 10575525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).