1-trimethylsilylnon-2-yn-4-yl acetate

C14H26O2Si — CID 101413583

IUPAC1-trimethylsilylnon-2-yn-4-yl acetate
SMILESCCCCCC(C#CC[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C14H26O2Si/c1-6-7-8-10-14(16-13(2)15)11-9-12-17(3,4)5/h14H,6-8,10,12H2,1-5H3
InChIKeyPBELVPBNOXJGEI-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.84
Rot. Bonds6

About 1-trimethylsilylnon-2-yn-4-yl acetate

1-trimethylsilylnon-2-yn-4-yl acetate (PubChem CID 101413583) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 1-trimethylsilylnon-2-yn-4-yl acetate.

Molecular Properties

Compound Name1-trimethylsilylnon-2-yn-4-yl acetate
PubChem CID101413583
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name1-trimethylsilylnon-2-yn-4-yl acetate
SMILESCCCCCC(C#CC[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C14H26O2Si/c1-6-7-8-10-14(16-13(2)15)11-9-12-17(3,4)5/h14H,6-8,10,12H2,1-5H3
InChIKeyPBELVPBNOXJGEI-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
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 1-trimethylsilylnon-2-yn-4-yl acetate?
The IUPAC name of 1-trimethylsilylnon-2-yn-4-yl acetate (CID 101413583) is 1-trimethylsilylnon-2-yn-4-yl acetate.
What is the SMILES notation for 1-trimethylsilylnon-2-yn-4-yl acetate?
The canonical SMILES for 1-trimethylsilylnon-2-yn-4-yl acetate is CCCCCC(C#CC[Si](C)(C)C)OC(C)=O.
What is the InChIKey of 1-trimethylsilylnon-2-yn-4-yl acetate?
The InChIKey is PBELVPBNOXJGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-6-7-8-10-14(16-13(2)15)11-9-12-17(3,4)5/h14H,6-8,10,12H2,1-5H3.
What are the key properties of 1-trimethylsilylnon-2-yn-4-yl acetate?
1-trimethylsilylnon-2-yn-4-yl acetate has a molecular weight of 254.45 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylnon-2-yn-4-yl acetate is sourced from PubChem (CID 101413583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).