Se-phenyl (E)-hept-2-eneselenoate

C13H16OSe — CID 10587874

IUPACSe-phenyl (E)-hept-2-eneselenoate
SMILESCCCC/C=C/C(=O)[Se]c1ccccc1
InChIInChI=1S/C13H16OSe/c1-2-3-4-8-11-13(14)15-12-9-6-5-7-10-12/h5-11H,2-4H2,1H3/b11-8+
InChIKeyUSUCNQCJWFBUCX-DHZHZOJOSA-N
MW267.23 g/mol
LogP2.29
Rot. Bonds6

About Se-phenyl (E)-hept-2-eneselenoate

Se-phenyl (E)-hept-2-eneselenoate (PubChem CID 10587874) has the molecular formula C13H16OSe and a molecular weight of 267.23 g/mol. Its IUPAC name is Se-phenyl (E)-hept-2-eneselenoate.

Molecular Properties

Compound NameSe-phenyl (E)-hept-2-eneselenoate
PubChem CID10587874
Molecular FormulaC13H16OSe
Molecular Weight267.23 g/mol
Exact Mass268.04
IUPAC NameSe-phenyl (E)-hept-2-eneselenoate
SMILESCCCC/C=C/C(=O)[Se]c1ccccc1
InChIInChI=1S/C13H16OSe/c1-2-3-4-8-11-13(14)15-12-9-6-5-7-10-12/h5-11H,2-4H2,1H3/b11-8+
InChIKeyUSUCNQCJWFBUCX-DHZHZOJOSA-N
XLogP2.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 52.29
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 (E)-hept-2-eneselenoate?
The IUPAC name of Se-phenyl (E)-hept-2-eneselenoate (CID 10587874) is Se-phenyl (E)-hept-2-eneselenoate.
What is the SMILES notation for Se-phenyl (E)-hept-2-eneselenoate?
The canonical SMILES for Se-phenyl (E)-hept-2-eneselenoate is CCCC/C=C/C(=O)[Se]c1ccccc1.
What is the InChIKey of Se-phenyl (E)-hept-2-eneselenoate?
The InChIKey is USUCNQCJWFBUCX-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H16OSe/c1-2-3-4-8-11-13(14)15-12-9-6-5-7-10-12/h5-11H,2-4H2,1H3/b11-8+.
What are the key properties of Se-phenyl (E)-hept-2-eneselenoate?
Se-phenyl (E)-hept-2-eneselenoate has a molecular weight of 267.23 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Se-phenyl (E)-hept-2-eneselenoate is sourced from PubChem (CID 10587874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).