(E)-4-methyl-9-trimethylsilylnon-4-en-8-yn-1-ol

C13H24OSi — CID 88784775

IUPAC(E)-4-methyl-9-trimethylsilylnon-4-en-8-yn-1-ol
SMILESC/C(=C\CCC#C[Si](C)(C)C)CCCO
InChIInChI=1S/C13H24OSi/c1-13(10-8-11-14)9-6-5-7-12-15(2,3)4/h9,14H,5-6,8,10-11H2,1-4H3/b13-9+
InChIKeyXZPWWPRRKKGPLZ-UKTHLTGXSA-N
MW224.42 g/mol
LogP3.37
Rot. Bonds5

About (E)-4-methyl-9-trimethylsilylnon-4-en-8-yn-1-ol

(E)-4-methyl-9-trimethylsilylnon-4-en-8-yn-1-ol (PubChem CID 88784775) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (E)-4-methyl-9-trimethylsilylnon-4-en-8-yn-1-ol.

Molecular Properties

Compound Name(E)-4-methyl-9-trimethylsilylnon-4-en-8-yn-1-ol
PubChem CID88784775
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(E)-4-methyl-9-trimethylsilylnon-4-en-8-yn-1-ol
SMILESC/C(=C\CCC#C[Si](C)(C)C)CCCO
InChIInChI=1S/C13H24OSi/c1-13(10-8-11-14)9-6-5-7-12-15(2,3)4/h9,14H,5-6,8,10-11H2,1-4H3/b13-9+
InChIKeyXZPWWPRRKKGPLZ-UKTHLTGXSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-9-trimethylsilylnon-4-en-8-yn-1-ol?
The IUPAC name of (E)-4-methyl-9-trimethylsilylnon-4-en-8-yn-1-ol (CID 88784775) is (E)-4-methyl-9-trimethylsilylnon-4-en-8-yn-1-ol.
What is the SMILES notation for (E)-4-methyl-9-trimethylsilylnon-4-en-8-yn-1-ol?
The canonical SMILES for (E)-4-methyl-9-trimethylsilylnon-4-en-8-yn-1-ol is C/C(=C\CCC#C[Si](C)(C)C)CCCO.
What is the InChIKey of (E)-4-methyl-9-trimethylsilylnon-4-en-8-yn-1-ol?
The InChIKey is XZPWWPRRKKGPLZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C13H24OSi/c1-13(10-8-11-14)9-6-5-7-12-15(2,3)4/h9,14H,5-6,8,10-11H2,1-4H3/b13-9+.
What are the key properties of (E)-4-methyl-9-trimethylsilylnon-4-en-8-yn-1-ol?
(E)-4-methyl-9-trimethylsilylnon-4-en-8-yn-1-ol has a molecular weight of 224.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-9-trimethylsilylnon-4-en-8-yn-1-ol is sourced from PubChem (CID 88784775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).