[(Z)-1-butylsulfanyl-3-hydroxybut-1-enyl]selanyllithium

C8H15LiOSSe — CID 134893847

IUPAC[(Z)-1-butylsulfanyl-3-hydroxybut-1-enyl]selanyllithium
SMILES[Li][Se]/C(=C\C(C)O)SCCCC
InChIInChI=1S/C8H16OSSe.Li/c1-3-4-5-10-8(11)6-7(2)9;/h6-7,9,11H,3-5H2,1-2H3;/q;+1/p-1/b8-6-;
InChIKeyAADDTEQZGFJFBY-PHZXCRFESA-M
MW245.17 g/mol
LogP1.53
Rot. Bonds6

About [(Z)-1-butylsulfanyl-3-hydroxybut-1-enyl]selanyllithium

[(Z)-1-butylsulfanyl-3-hydroxybut-1-enyl]selanyllithium (PubChem CID 134893847) has the molecular formula C8H15LiOSSe and a molecular weight of 245.17 g/mol. Its IUPAC name is [(Z)-1-butylsulfanyl-3-hydroxybut-1-enyl]selanyllithium.

Molecular Properties

Compound Name[(Z)-1-butylsulfanyl-3-hydroxybut-1-enyl]selanyllithium
PubChem CID134893847
Molecular FormulaC8H15LiOSSe
Molecular Weight245.17 g/mol
Exact Mass246.02
IUPAC Name[(Z)-1-butylsulfanyl-3-hydroxybut-1-enyl]selanyllithium
SMILES[Li][Se]/C(=C\C(C)O)SCCCC
InChIInChI=1S/C8H16OSSe.Li/c1-3-4-5-10-8(11)6-7(2)9;/h6-7,9,11H,3-5H2,1-2H3;/q;+1/p-1/b8-6-;
InChIKeyAADDTEQZGFJFBY-PHZXCRFESA-M
XLogP1.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 10491081
CID 10491081
CID 11086671
CID 11086671
CID 21673584
CID 21673584
CID 100969099
CID 100969099
CID 119096196
CID 119096196

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-butylsulfanyl-3-hydroxybut-1-enyl]selanyllithium?
The IUPAC name of [(Z)-1-butylsulfanyl-3-hydroxybut-1-enyl]selanyllithium (CID 134893847) is [(Z)-1-butylsulfanyl-3-hydroxybut-1-enyl]selanyllithium.
What is the SMILES notation for [(Z)-1-butylsulfanyl-3-hydroxybut-1-enyl]selanyllithium?
The canonical SMILES for [(Z)-1-butylsulfanyl-3-hydroxybut-1-enyl]selanyllithium is [Li][Se]/C(=C\C(C)O)SCCCC.
What is the InChIKey of [(Z)-1-butylsulfanyl-3-hydroxybut-1-enyl]selanyllithium?
The InChIKey is AADDTEQZGFJFBY-PHZXCRFESA-M. The full InChI is InChI=1S/C8H16OSSe.Li/c1-3-4-5-10-8(11)6-7(2)9;/h6-7,9,11H,3-5H2,1-2H3;/q;+1/p-1/b8-6-;.
What are the key properties of [(Z)-1-butylsulfanyl-3-hydroxybut-1-enyl]selanyllithium?
[(Z)-1-butylsulfanyl-3-hydroxybut-1-enyl]selanyllithium has a molecular weight of 245.17 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-butylsulfanyl-3-hydroxybut-1-enyl]selanyllithium is sourced from PubChem (CID 134893847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).