2-hydroxy-4-trimethylsilylbut-3-ynenitrile

C7H11NOSi — CID 130130307

IUPAC2-hydroxy-4-trimethylsilylbut-3-ynenitrile
SMILESC[Si](C)(C)C#CC(O)C#N
InChIInChI=1S/C7H11NOSi/c1-10(2,3)5-4-7(9)6-8/h7,9H,1-3H3
InChIKeyVPAXZIYTTRJIAX-UHFFFAOYSA-N
MW153.26 g/mol
LogP0.75
Rot. Bonds

About 2-hydroxy-4-trimethylsilylbut-3-ynenitrile

2-hydroxy-4-trimethylsilylbut-3-ynenitrile (PubChem CID 130130307) has the molecular formula C7H11NOSi and a molecular weight of 153.26 g/mol. Its IUPAC name is 2-hydroxy-4-trimethylsilylbut-3-ynenitrile.

Molecular Properties

Compound Name2-hydroxy-4-trimethylsilylbut-3-ynenitrile
PubChem CID130130307
Molecular FormulaC7H11NOSi
Molecular Weight153.26 g/mol
Exact Mass153.06
IUPAC Name2-hydroxy-4-trimethylsilylbut-3-ynenitrile
SMILESC[Si](C)(C)C#CC(O)C#N
InChIInChI=1S/C7H11NOSi/c1-10(2,3)5-4-7(9)6-8/h7,9H,1-3H3
InChIKeyVPAXZIYTTRJIAX-UHFFFAOYSA-N
XLogP0.75
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-trimethylsilylbut-3-ynenitrile?
The IUPAC name of 2-hydroxy-4-trimethylsilylbut-3-ynenitrile (CID 130130307) is 2-hydroxy-4-trimethylsilylbut-3-ynenitrile.
What is the SMILES notation for 2-hydroxy-4-trimethylsilylbut-3-ynenitrile?
The canonical SMILES for 2-hydroxy-4-trimethylsilylbut-3-ynenitrile is C[Si](C)(C)C#CC(O)C#N.
What is the InChIKey of 2-hydroxy-4-trimethylsilylbut-3-ynenitrile?
The InChIKey is VPAXZIYTTRJIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOSi/c1-10(2,3)5-4-7(9)6-8/h7,9H,1-3H3.
What are the key properties of 2-hydroxy-4-trimethylsilylbut-3-ynenitrile?
2-hydroxy-4-trimethylsilylbut-3-ynenitrile has a molecular weight of 153.26 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-trimethylsilylbut-3-ynenitrile is sourced from PubChem (CID 130130307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).