7-hydroxy-9-trimethylsilylnona-5,8-diynenitrile

C12H17NOSi — CID 140849780

IUPAC7-hydroxy-9-trimethylsilylnona-5,8-diynenitrile
SMILESC[Si](C)(C)C#CC(O)C#CCCCC#N
InChIInChI=1S/C12H17NOSi/c1-15(2,3)11-9-12(14)8-6-4-5-7-10-13/h12,14H,4-5,7H2,1-3H3
InChIKeyBAQAZDXUYRVPKX-UHFFFAOYSA-N
MW219.36 g/mol
LogP1.93
Rot. Bonds2

About 7-hydroxy-9-trimethylsilylnona-5,8-diynenitrile

7-hydroxy-9-trimethylsilylnona-5,8-diynenitrile (PubChem CID 140849780) has the molecular formula C12H17NOSi and a molecular weight of 219.36 g/mol. Its IUPAC name is 7-hydroxy-9-trimethylsilylnona-5,8-diynenitrile.

Molecular Properties

Compound Name7-hydroxy-9-trimethylsilylnona-5,8-diynenitrile
PubChem CID140849780
Molecular FormulaC12H17NOSi
Molecular Weight219.36 g/mol
Exact Mass219.11
IUPAC Name7-hydroxy-9-trimethylsilylnona-5,8-diynenitrile
SMILESC[Si](C)(C)C#CC(O)C#CCCCC#N
InChIInChI=1S/C12H17NOSi/c1-15(2,3)11-9-12(14)8-6-4-5-7-10-13/h12,14H,4-5,7H2,1-3H3
InChIKeyBAQAZDXUYRVPKX-UHFFFAOYSA-N
XLogP1.93
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 51.93
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-9-trimethylsilylnona-5,8-diynenitrile?
The IUPAC name of 7-hydroxy-9-trimethylsilylnona-5,8-diynenitrile (CID 140849780) is 7-hydroxy-9-trimethylsilylnona-5,8-diynenitrile.
What is the SMILES notation for 7-hydroxy-9-trimethylsilylnona-5,8-diynenitrile?
The canonical SMILES for 7-hydroxy-9-trimethylsilylnona-5,8-diynenitrile is C[Si](C)(C)C#CC(O)C#CCCCC#N.
What is the InChIKey of 7-hydroxy-9-trimethylsilylnona-5,8-diynenitrile?
The InChIKey is BAQAZDXUYRVPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOSi/c1-15(2,3)11-9-12(14)8-6-4-5-7-10-13/h12,14H,4-5,7H2,1-3H3.
What are the key properties of 7-hydroxy-9-trimethylsilylnona-5,8-diynenitrile?
7-hydroxy-9-trimethylsilylnona-5,8-diynenitrile has a molecular weight of 219.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-9-trimethylsilylnona-5,8-diynenitrile is sourced from PubChem (CID 140849780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).