2-trimethylsilylnon-3-yn-2-ol

C12H24OSi — CID 166443136

IUPAC2-trimethylsilylnon-3-yn-2-ol
SMILESCCCCCC#CC(C)(O)[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-6-7-8-9-10-11-12(2,13)14(3,4)5/h13H,6-9H2,1-5H3
InChIKeyIUCROKMQIXWJPH-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.20
Rot. Bonds4

About 2-trimethylsilylnon-3-yn-2-ol

2-trimethylsilylnon-3-yn-2-ol (PubChem CID 166443136) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 2-trimethylsilylnon-3-yn-2-ol.

Molecular Properties

Compound Name2-trimethylsilylnon-3-yn-2-ol
PubChem CID166443136
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name2-trimethylsilylnon-3-yn-2-ol
SMILESCCCCCC#CC(C)(O)[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-6-7-8-9-10-11-12(2,13)14(3,4)5/h13H,6-9H2,1-5H3
InChIKeyIUCROKMQIXWJPH-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.20
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-4-(trimethylsilyl)but-3-yn-2-ol
CID 332724
6-Trimethylsilyl-2-methylhexa-3,5-diyn-2-ol
CID 10678951
2,4-Bis(trimethylsilyl)but-3-yn-2-ol
CID 15121706
2-Trimethylsilyloct-3-yn-2-ol
CID 15500752
6-Dimethylethylsilyl-2-methylhexa-3,5-diyn-2-ol
CID 129806516
2-[Tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol
CID 135068800
3-Triethylsilylbut-1-yn-1-ol
CID 19358394
2-Methyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol
CID 53253536
3,3-Bis(trimethylsilyl)but-1-yn-1-ol
CID 87941498
Butyl-hept-1-ynoxy-dimethylsilane
CID 87948017
4-Triethylsilylbut-1-yn-1-ol
CID 88248872
2-Methyl-4-triethylsilylbut-3-yn-2-ol
CID 89760922

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylnon-3-yn-2-ol?
The IUPAC name of 2-trimethylsilylnon-3-yn-2-ol (CID 166443136) is 2-trimethylsilylnon-3-yn-2-ol.
What is the SMILES notation for 2-trimethylsilylnon-3-yn-2-ol?
The canonical SMILES for 2-trimethylsilylnon-3-yn-2-ol is CCCCCC#CC(C)(O)[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylnon-3-yn-2-ol?
The InChIKey is IUCROKMQIXWJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-6-7-8-9-10-11-12(2,13)14(3,4)5/h13H,6-9H2,1-5H3.
What are the key properties of 2-trimethylsilylnon-3-yn-2-ol?
2-trimethylsilylnon-3-yn-2-ol has a molecular weight of 212.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylnon-3-yn-2-ol is sourced from PubChem (CID 166443136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).