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

C12H22O2Se — CID 15500701

IUPAC(Z)-3-ethylselanyl-1-methoxynon-2-en-4-one
SMILESCCCCCC(=O)/C(=C/COC)[Se]CC
InChIInChI=1S/C12H22O2Se/c1-4-6-7-8-11(13)12(15-5-2)9-10-14-3/h9H,4-8,10H2,1-3H3/b12-9-
InChIKeyGYGOVPFIWUTDOD-XFXZXTDPSA-N
MW277.27 g/mol
LogP2.81
Rot. Bonds9

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

(Z)-3-ethylselanyl-1-methoxynon-2-en-4-one (PubChem CID 15500701) has the molecular formula C12H22O2Se and a molecular weight of 277.27 g/mol. Its IUPAC name is (Z)-3-ethylselanyl-1-methoxynon-2-en-4-one.

Molecular Properties

Compound Name(Z)-3-ethylselanyl-1-methoxynon-2-en-4-one
PubChem CID15500701
Molecular FormulaC12H22O2Se
Molecular Weight277.27 g/mol
Exact Mass278.08
IUPAC Name(Z)-3-ethylselanyl-1-methoxynon-2-en-4-one
SMILESCCCCCC(=O)/C(=C/COC)[Se]CC
InChIInChI=1S/C12H22O2Se/c1-4-6-7-8-11(13)12(15-5-2)9-10-14-3/h9H,4-8,10H2,1-3H3/b12-9-
InChIKeyGYGOVPFIWUTDOD-XFXZXTDPSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-3-ethylselanyl-1-methoxynon-2-en-4-one?
The IUPAC name of (Z)-3-ethylselanyl-1-methoxynon-2-en-4-one (CID 15500701) is (Z)-3-ethylselanyl-1-methoxynon-2-en-4-one.
What is the SMILES notation for (Z)-3-ethylselanyl-1-methoxynon-2-en-4-one?
The canonical SMILES for (Z)-3-ethylselanyl-1-methoxynon-2-en-4-one is CCCCCC(=O)/C(=C/COC)[Se]CC.
What is the InChIKey of (Z)-3-ethylselanyl-1-methoxynon-2-en-4-one?
The InChIKey is GYGOVPFIWUTDOD-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H22O2Se/c1-4-6-7-8-11(13)12(15-5-2)9-10-14-3/h9H,4-8,10H2,1-3H3/b12-9-.
What are the key properties of (Z)-3-ethylselanyl-1-methoxynon-2-en-4-one?
(Z)-3-ethylselanyl-1-methoxynon-2-en-4-one has a molecular weight of 277.27 g/mol, XLogP of 2.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethylselanyl-1-methoxynon-2-en-4-one is sourced from PubChem (CID 15500701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).