(E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one

C22H26OSe — CID 177396673

IUPAC(E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one
SMILESCCCCCCC(=O)/C(=C\c1ccccc1)C[Se]c1ccccc1
InChIInChI=1S/C22H26OSe/c1-2-3-4-11-16-22(23)20(17-19-12-7-5-8-13-19)18-24-21-14-9-6-10-15-21/h5-10,12-15,17H,2-4,11,16,18H2,1H3/b20-17-
InChIKeyQKYRPDBKBVMEJT-JZJYNLBNSA-N
MW385.41 g/mol
LogP5.06
Rot. Bonds10

About (E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one

(E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one (PubChem CID 177396673) has the molecular formula C22H26OSe and a molecular weight of 385.41 g/mol. Its IUPAC name is (E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one.

Molecular Properties

Compound Name(E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one
PubChem CID177396673
Molecular FormulaC22H26OSe
Molecular Weight385.41 g/mol
Exact Mass386.11
IUPAC Name(E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one
SMILESCCCCCCC(=O)/C(=C\c1ccccc1)C[Se]c1ccccc1
InChIInChI=1S/C22H26OSe/c1-2-3-4-11-16-22(23)20(17-19-12-7-5-8-13-19)18-24-21-14-9-6-10-15-21/h5-10,12-15,17H,2-4,11,16,18H2,1H3/b20-17-
InChIKeyQKYRPDBKBVMEJT-JZJYNLBNSA-N
XLogP5.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.41
LogP ≤ 55.06
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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Related Compounds

(E)-2-methyl-1-phenylnon-1-en-3-one
CID 102243478
(Z)-1-phenylmethoxy-2-(phenylselanylmethyl)non-1-en-3-one
CID 177446776
2-benzylideneicosanamide
CID 167436455
(2E)-2-benzylideneheptanoic acid
CID 14318164
ethyl 2-benzylidenedecanoate
CID 70212022
4-benzylidene-1-phenylheptadec-1-en-3-one
CID 54442724
(2Z)-2-benzylidenehexanoate
CID 21157937
potassium (2E)-2-benzylideneoctan-1-one
CID 162387129
(2E)-2-benzylidenehexanoic acid
CID 5354388
2-benzylidene-1-(4-methylphenyl)heptan-1-one
CID 156784822
tris(4-benzylidene-1-phenylheptadec-1-en-3-one);bis(palladium)
CID 173000326
bis(4-benzylidene-1-phenylheptadec-1-en-3-one);palladium
CID 87961389

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one?
The IUPAC name of (E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one (CID 177396673) is (E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one.
What is the SMILES notation for (E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one?
The canonical SMILES for (E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one is CCCCCCC(=O)/C(=C\c1ccccc1)C[Se]c1ccccc1.
What is the InChIKey of (E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one?
The InChIKey is QKYRPDBKBVMEJT-JZJYNLBNSA-N. The full InChI is InChI=1S/C22H26OSe/c1-2-3-4-11-16-22(23)20(17-19-12-7-5-8-13-19)18-24-21-14-9-6-10-15-21/h5-10,12-15,17H,2-4,11,16,18H2,1H3/b20-17-.
What are the key properties of (E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one?
(E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one has a molecular weight of 385.41 g/mol, XLogP of 5.06, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one is sourced from PubChem (CID 177396673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).