lithium (E)-2-trimethylsilyloxypent-3-enenitrile

C8H14LiNOSi — CID 134975907

IUPAClithium (E)-2-trimethylsilyloxypent-3-enenitrile
SMILESC/C=C/[C-](C#N)O[Si](C)(C)C.[Li+]
InChIInChI=1S/C8H14NOSi.Li/c1-5-6-8(7-9)10-11(2,3)4;/h5-6H,1-4H3;/q-1;+1/b6-5+;
InChIKeyFITLFWOQTOJHFO-IPZCTEOASA-N
MW175.23 g/mol
LogP-0.53
Rot. Bonds3

About lithium (E)-2-trimethylsilyloxypent-3-enenitrile

lithium (E)-2-trimethylsilyloxypent-3-enenitrile (PubChem CID 134975907) has the molecular formula C8H14LiNOSi and a molecular weight of 175.23 g/mol. Its IUPAC name is lithium (E)-2-trimethylsilyloxypent-3-enenitrile.

Molecular Properties

Compound Namelithium (E)-2-trimethylsilyloxypent-3-enenitrile
PubChem CID134975907
Molecular FormulaC8H14LiNOSi
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Namelithium (E)-2-trimethylsilyloxypent-3-enenitrile
SMILESC/C=C/[C-](C#N)O[Si](C)(C)C.[Li+]
InChIInChI=1S/C8H14NOSi.Li/c1-5-6-8(7-9)10-11(2,3)4;/h5-6H,1-4H3;/q-1;+1/b6-5+;
InChIKeyFITLFWOQTOJHFO-IPZCTEOASA-N
XLogP-0.53
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium (E)-2-trimethylsilyloxypent-3-enenitrile?
The IUPAC name of lithium (E)-2-trimethylsilyloxypent-3-enenitrile (CID 134975907) is lithium (E)-2-trimethylsilyloxypent-3-enenitrile.
What is the SMILES notation for lithium (E)-2-trimethylsilyloxypent-3-enenitrile?
The canonical SMILES for lithium (E)-2-trimethylsilyloxypent-3-enenitrile is C/C=C/[C-](C#N)O[Si](C)(C)C.[Li+].
What is the InChIKey of lithium (E)-2-trimethylsilyloxypent-3-enenitrile?
The InChIKey is FITLFWOQTOJHFO-IPZCTEOASA-N. The full InChI is InChI=1S/C8H14NOSi.Li/c1-5-6-8(7-9)10-11(2,3)4;/h5-6H,1-4H3;/q-1;+1/b6-5+;.
What are the key properties of lithium (E)-2-trimethylsilyloxypent-3-enenitrile?
lithium (E)-2-trimethylsilyloxypent-3-enenitrile has a molecular weight of 175.23 g/mol, XLogP of -0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (E)-2-trimethylsilyloxypent-3-enenitrile is sourced from PubChem (CID 134975907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).