lithium (E)-1-methylselanyloct-1-ene-1-thiolate

C9H17LiSSe — CID 134873125

IUPAClithium (E)-1-methylselanyloct-1-ene-1-thiolate
SMILESCCCCCC/C=C(\[S-])[Se]C.[Li+]
InChIInChI=1S/C9H18SSe.Li/c1-3-4-5-6-7-8-9(10)11-2;/h8,10H,3-7H2,1-2H3;/q;+1/p-1/b9-8+;
InChIKeyXYUKIGCNDKTWHX-HRNDJLQDSA-M
MW243.20 g/mol
LogP0.10
Rot. Bonds6

About lithium (E)-1-methylselanyloct-1-ene-1-thiolate

lithium (E)-1-methylselanyloct-1-ene-1-thiolate (PubChem CID 134873125) has the molecular formula C9H17LiSSe and a molecular weight of 243.20 g/mol. Its IUPAC name is lithium (E)-1-methylselanyloct-1-ene-1-thiolate.

Molecular Properties

Compound Namelithium (E)-1-methylselanyloct-1-ene-1-thiolate
PubChem CID134873125
Molecular FormulaC9H17LiSSe
Molecular Weight243.20 g/mol
Exact Mass244.04
IUPAC Namelithium (E)-1-methylselanyloct-1-ene-1-thiolate
SMILESCCCCCC/C=C(\[S-])[Se]C.[Li+]
InChIInChI=1S/C9H18SSe.Li/c1-3-4-5-6-7-8-9(10)11-2;/h8,10H,3-7H2,1-2H3;/q;+1/p-1/b9-8+;
InChIKeyXYUKIGCNDKTWHX-HRNDJLQDSA-M
XLogP0.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 50.10
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': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-methylselanyl-1-methylsulfanyloct-1-ene
CID 11276786
(Z)-1-methylselanyl-1-methylsulfanyloct-1-ene
CID 15506043
lithium (Z)-1-(2-methylpropylselanyl)oct-1-ene-1-thiolate
CID 134873122
lithium (E)-1-(2-methylpropylselanyl)oct-1-ene-1-thiolate
CID 134873312
lithium (Z)-1-methylselanyloct-1-ene-1-thiolate
CID 134873338
(Z)-1-ethylselanyl-1-methylsulfanyloct-1-ene
CID 134923320
(Z)-1-(2-methylpropylselanyl)oct-1-ene-1-thiol
CID 134873123
(E)-1-methylselanyloct-1-ene-1-thiol
CID 134873126
(E)-1-(2-methylpropylselanyl)oct-1-ene-1-thiol
CID 134873313
(Z)-1-methylselanyloct-1-ene-1-thiol
CID 134873339

Frequently Asked Questions

What is the IUPAC name of lithium (E)-1-methylselanyloct-1-ene-1-thiolate?
The IUPAC name of lithium (E)-1-methylselanyloct-1-ene-1-thiolate (CID 134873125) is lithium (E)-1-methylselanyloct-1-ene-1-thiolate.
What is the SMILES notation for lithium (E)-1-methylselanyloct-1-ene-1-thiolate?
The canonical SMILES for lithium (E)-1-methylselanyloct-1-ene-1-thiolate is CCCCCC/C=C(\[S-])[Se]C.[Li+].
What is the InChIKey of lithium (E)-1-methylselanyloct-1-ene-1-thiolate?
The InChIKey is XYUKIGCNDKTWHX-HRNDJLQDSA-M. The full InChI is InChI=1S/C9H18SSe.Li/c1-3-4-5-6-7-8-9(10)11-2;/h8,10H,3-7H2,1-2H3;/q;+1/p-1/b9-8+;.
What are the key properties of lithium (E)-1-methylselanyloct-1-ene-1-thiolate?
lithium (E)-1-methylselanyloct-1-ene-1-thiolate has a molecular weight of 243.20 g/mol, XLogP of 0.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (E)-1-methylselanyloct-1-ene-1-thiolate is sourced from PubChem (CID 134873125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).