9-trimethylsilylnon-2-en-6,8-diynal

C12H16OSi — CID 76808617

IUPAC9-trimethylsilylnon-2-en-6,8-diynal
SMILESC[Si](C)(C)C#CC#CCCC=CC=O
InChIInChI=1S/C12H16OSi/c1-14(2,3)12-10-8-6-4-5-7-9-11-13/h7,9,11H,4-5H2,1-3H3
InChIKeyLXECAQSBJQXKQT-UHFFFAOYSA-N
MW204.34 g/mol
LogP2.41
Rot. Bonds3

About 9-trimethylsilylnon-2-en-6,8-diynal

9-trimethylsilylnon-2-en-6,8-diynal (PubChem CID 76808617) has the molecular formula C12H16OSi and a molecular weight of 204.34 g/mol. Its IUPAC name is 9-trimethylsilylnon-2-en-6,8-diynal.

Molecular Properties

Compound Name9-trimethylsilylnon-2-en-6,8-diynal
PubChem CID76808617
Molecular FormulaC12H16OSi
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name9-trimethylsilylnon-2-en-6,8-diynal
SMILESC[Si](C)(C)C#CC#CCCC=CC=O
InChIInChI=1S/C12H16OSi/c1-14(2,3)12-10-8-6-4-5-7-9-11-13/h7,9,11H,4-5H2,1-3H3
InChIKeyLXECAQSBJQXKQT-UHFFFAOYSA-N
XLogP2.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.41
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-trimethylsilylnon-2-en-6,8-diynal?
The IUPAC name of 9-trimethylsilylnon-2-en-6,8-diynal (CID 76808617) is 9-trimethylsilylnon-2-en-6,8-diynal.
What is the SMILES notation for 9-trimethylsilylnon-2-en-6,8-diynal?
The canonical SMILES for 9-trimethylsilylnon-2-en-6,8-diynal is C[Si](C)(C)C#CC#CCCC=CC=O.
What is the InChIKey of 9-trimethylsilylnon-2-en-6,8-diynal?
The InChIKey is LXECAQSBJQXKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OSi/c1-14(2,3)12-10-8-6-4-5-7-9-11-13/h7,9,11H,4-5H2,1-3H3.
What are the key properties of 9-trimethylsilylnon-2-en-6,8-diynal?
9-trimethylsilylnon-2-en-6,8-diynal has a molecular weight of 204.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-trimethylsilylnon-2-en-6,8-diynal is sourced from PubChem (CID 76808617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).