methyl (E)-3-chloro-2-methylselanylnon-2-enoate

C11H19ClO2Se — CID 134935130

IUPACmethyl (E)-3-chloro-2-methylselanylnon-2-enoate
SMILESCCCCCC/C(Cl)=C(\[Se]C)C(=O)OC
InChIInChI=1S/C11H19ClO2Se/c1-4-5-6-7-8-9(12)10(15-3)11(13)14-2/h4-8H2,1-3H3/b10-9+
InChIKeyWXWJJRMOVXBJAB-MDZDMXLPSA-N
MW297.68 g/mol
LogP3.33
Rot. Bonds7

About methyl (E)-3-chloro-2-methylselanylnon-2-enoate

methyl (E)-3-chloro-2-methylselanylnon-2-enoate (PubChem CID 134935130) has the molecular formula C11H19ClO2Se and a molecular weight of 297.68 g/mol. Its IUPAC name is methyl (E)-3-chloro-2-methylselanylnon-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-chloro-2-methylselanylnon-2-enoate
PubChem CID134935130
Molecular FormulaC11H19ClO2Se
Molecular Weight297.68 g/mol
Exact Mass298.02
IUPAC Namemethyl (E)-3-chloro-2-methylselanylnon-2-enoate
SMILESCCCCCC/C(Cl)=C(\[Se]C)C(=O)OC
InChIInChI=1S/C11H19ClO2Se/c1-4-5-6-7-8-9(12)10(15-3)11(13)14-2/h4-8H2,1-3H3/b10-9+
InChIKeyWXWJJRMOVXBJAB-MDZDMXLPSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.68
LogP ≤ 53.33
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 methyl (E)-3-chloro-2-methylselanylnon-2-enoate?
The IUPAC name of methyl (E)-3-chloro-2-methylselanylnon-2-enoate (CID 134935130) is methyl (E)-3-chloro-2-methylselanylnon-2-enoate.
What is the SMILES notation for methyl (E)-3-chloro-2-methylselanylnon-2-enoate?
The canonical SMILES for methyl (E)-3-chloro-2-methylselanylnon-2-enoate is CCCCCC/C(Cl)=C(\[Se]C)C(=O)OC.
What is the InChIKey of methyl (E)-3-chloro-2-methylselanylnon-2-enoate?
The InChIKey is WXWJJRMOVXBJAB-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H19ClO2Se/c1-4-5-6-7-8-9(12)10(15-3)11(13)14-2/h4-8H2,1-3H3/b10-9+.
What are the key properties of methyl (E)-3-chloro-2-methylselanylnon-2-enoate?
methyl (E)-3-chloro-2-methylselanylnon-2-enoate has a molecular weight of 297.68 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-chloro-2-methylselanylnon-2-enoate is sourced from PubChem (CID 134935130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).