(Z)-3-ethylselanyl-1-methoxyoct-2-en-4-one

C11H20O2Se — CID 134996537

IUPAC(Z)-3-ethylselanyl-1-methoxyoct-2-en-4-one
SMILESCCCCC(=O)/C(=C/COC)[Se]CC
InChIInChI=1S/C11H20O2Se/c1-4-6-7-10(12)11(14-5-2)8-9-13-3/h8H,4-7,9H2,1-3H3/b11-8-
InChIKeyKMXOORKSRKVESB-FLIBITNWSA-N
MW263.24 g/mol
LogP2.42
Rot. Bonds8

About (Z)-3-ethylselanyl-1-methoxyoct-2-en-4-one

(Z)-3-ethylselanyl-1-methoxyoct-2-en-4-one (PubChem CID 134996537) has the molecular formula C11H20O2Se and a molecular weight of 263.24 g/mol. Its IUPAC name is (Z)-3-ethylselanyl-1-methoxyoct-2-en-4-one.

Molecular Properties

Compound Name(Z)-3-ethylselanyl-1-methoxyoct-2-en-4-one
PubChem CID134996537
Molecular FormulaC11H20O2Se
Molecular Weight263.24 g/mol
Exact Mass264.06
IUPAC Name(Z)-3-ethylselanyl-1-methoxyoct-2-en-4-one
SMILESCCCCC(=O)/C(=C/COC)[Se]CC
InChIInChI=1S/C11H20O2Se/c1-4-6-7-10(12)11(14-5-2)8-9-13-3/h8H,4-7,9H2,1-3H3/b11-8-
InChIKeyKMXOORKSRKVESB-FLIBITNWSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-oxo-oct-2-enoate
CID 85385398
(Z)-3-ethylselanyl-1-methoxynon-2-en-4-one
CID 15500701
8-Methoxyoct-6-en-2-one
CID 73020673
(E)-1-methoxyhept-2-en-4-one
CID 89367494
(Z)-8-methoxyoct-6-en-2-one
CID 90334131
(E)-8-propan-2-yloxyoct-6-ene-2,5-dione
CID 90339097
8-Propan-2-yloxyoct-6-ene-2,5-dione
CID 123255191
(E)-1-ethoxynon-2-en-4-one
CID 10035304
ethyl (2E)-4-oxo-2-octenoate
CID 11063081
(Z)-1-methoxy-3-trimethylsilyloct-2-en-4-one
CID 11264675
(E)-8-methoxyoct-6-en-2-one
CID 11586332

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethylselanyl-1-methoxyoct-2-en-4-one?
The IUPAC name of (Z)-3-ethylselanyl-1-methoxyoct-2-en-4-one (CID 134996537) is (Z)-3-ethylselanyl-1-methoxyoct-2-en-4-one.
What is the SMILES notation for (Z)-3-ethylselanyl-1-methoxyoct-2-en-4-one?
The canonical SMILES for (Z)-3-ethylselanyl-1-methoxyoct-2-en-4-one is CCCCC(=O)/C(=C/COC)[Se]CC.
What is the InChIKey of (Z)-3-ethylselanyl-1-methoxyoct-2-en-4-one?
The InChIKey is KMXOORKSRKVESB-FLIBITNWSA-N. The full InChI is InChI=1S/C11H20O2Se/c1-4-6-7-10(12)11(14-5-2)8-9-13-3/h8H,4-7,9H2,1-3H3/b11-8-.
What are the key properties of (Z)-3-ethylselanyl-1-methoxyoct-2-en-4-one?
(Z)-3-ethylselanyl-1-methoxyoct-2-en-4-one has a molecular weight of 263.24 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethylselanyl-1-methoxyoct-2-en-4-one is sourced from PubChem (CID 134996537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).