9-trimethylsilylnona-6,8-diynal

C12H18OSi — CID 18436276

IUPAC9-trimethylsilylnona-6,8-diynal
SMILESC[Si](C)(C)C#CC#CCCCCC=O
InChIInChI=1S/C12H18OSi/c1-14(2,3)12-10-8-6-4-5-7-9-11-13/h11H,4-5,7,9H2,1-3H3
InChIKeyTYCRLXKXIRCQBQ-UHFFFAOYSA-N
MW206.36 g/mol
LogP2.63
Rot. Bonds4

About 9-trimethylsilylnona-6,8-diynal

9-trimethylsilylnona-6,8-diynal (PubChem CID 18436276) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol. Its IUPAC name is 9-trimethylsilylnona-6,8-diynal.

Molecular Properties

Compound Name9-trimethylsilylnona-6,8-diynal
PubChem CID18436276
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Name9-trimethylsilylnona-6,8-diynal
SMILESC[Si](C)(C)C#CC#CCCCCC=O
InChIInChI=1S/C12H18OSi/c1-14(2,3)12-10-8-6-4-5-7-9-11-13/h11H,4-5,7,9H2,1-3H3
InChIKeyTYCRLXKXIRCQBQ-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 9-trimethylsilylnona-6,8-diynal?
The IUPAC name of 9-trimethylsilylnona-6,8-diynal (CID 18436276) is 9-trimethylsilylnona-6,8-diynal.
What is the SMILES notation for 9-trimethylsilylnona-6,8-diynal?
The canonical SMILES for 9-trimethylsilylnona-6,8-diynal is C[Si](C)(C)C#CC#CCCCCC=O.
What is the InChIKey of 9-trimethylsilylnona-6,8-diynal?
The InChIKey is TYCRLXKXIRCQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OSi/c1-14(2,3)12-10-8-6-4-5-7-9-11-13/h11H,4-5,7,9H2,1-3H3.
What are the key properties of 9-trimethylsilylnona-6,8-diynal?
9-trimethylsilylnona-6,8-diynal has a molecular weight of 206.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-trimethylsilylnona-6,8-diynal is sourced from PubChem (CID 18436276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).