2,2-bis(prop-2-enyl)-1-sulfanylidenepent-4-ene-1-selenolate

C11H15SSe- — CID 134893125

IUPAC2,2-bis(prop-2-enyl)-1-sulfanylidenepent-4-ene-1-selenolate
SMILESC=CCC(CC=C)(CC=C)C(=S)[Se-]
InChIInChI=1S/C11H16SSe/c1-4-7-11(8-5-2,9-6-3)10(12)13/h4-6H,1-3,7-9H2,(H,12,13)/p-1
InChIKeyBUOBIBISBZHXJB-UHFFFAOYSA-M
MW258.27 g/mol
LogP3.20
Rot. Bonds7

About 2,2-bis(prop-2-enyl)-1-sulfanylidenepent-4-ene-1-selenolate

2,2-bis(prop-2-enyl)-1-sulfanylidenepent-4-ene-1-selenolate (PubChem CID 134893125) has the molecular formula C11H15SSe- and a molecular weight of 258.27 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)-1-sulfanylidenepent-4-ene-1-selenolate.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)-1-sulfanylidenepent-4-ene-1-selenolate
PubChem CID134893125
Molecular FormulaC11H15SSe-
Molecular Weight258.27 g/mol
Exact Mass259.01
IUPAC Name2,2-bis(prop-2-enyl)-1-sulfanylidenepent-4-ene-1-selenolate
SMILESC=CCC(CC=C)(CC=C)C(=S)[Se-]
InChIInChI=1S/C11H16SSe/c1-4-7-11(8-5-2,9-6-3)10(12)13/h4-6H,1-3,7-9H2,(H,12,13)/p-1
InChIKeyBUOBIBISBZHXJB-UHFFFAOYSA-M
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(prop-2-enyl)-1-sulfanylidenepent-4-ene-1-selenolate?
The IUPAC name of 2,2-bis(prop-2-enyl)-1-sulfanylidenepent-4-ene-1-selenolate (CID 134893125) is 2,2-bis(prop-2-enyl)-1-sulfanylidenepent-4-ene-1-selenolate.
What is the SMILES notation for 2,2-bis(prop-2-enyl)-1-sulfanylidenepent-4-ene-1-selenolate?
The canonical SMILES for 2,2-bis(prop-2-enyl)-1-sulfanylidenepent-4-ene-1-selenolate is C=CCC(CC=C)(CC=C)C(=S)[Se-].
What is the InChIKey of 2,2-bis(prop-2-enyl)-1-sulfanylidenepent-4-ene-1-selenolate?
The InChIKey is BUOBIBISBZHXJB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16SSe/c1-4-7-11(8-5-2,9-6-3)10(12)13/h4-6H,1-3,7-9H2,(H,12,13)/p-1.
What are the key properties of 2,2-bis(prop-2-enyl)-1-sulfanylidenepent-4-ene-1-selenolate?
2,2-bis(prop-2-enyl)-1-sulfanylidenepent-4-ene-1-selenolate has a molecular weight of 258.27 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enyl)-1-sulfanylidenepent-4-ene-1-selenolate is sourced from PubChem (CID 134893125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).