2-trimethylsilyloct-3-yn-2-ol

C11H22OSi — CID 15500752

IUPAC2-trimethylsilyloct-3-yn-2-ol
SMILESCCCCC#CC(C)(O)[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-6-7-8-9-10-11(2,12)13(3,4)5/h12H,6-8H2,1-5H3
InChIKeyDFWVQVZASDPFNX-UHFFFAOYSA-N
MW198.38 g/mol
LogP2.81
Rot. Bonds3

About 2-trimethylsilyloct-3-yn-2-ol

2-trimethylsilyloct-3-yn-2-ol (PubChem CID 15500752) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 2-trimethylsilyloct-3-yn-2-ol.

Molecular Properties

Compound Name2-trimethylsilyloct-3-yn-2-ol
PubChem CID15500752
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name2-trimethylsilyloct-3-yn-2-ol
SMILESCCCCC#CC(C)(O)[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-6-7-8-9-10-11(2,12)13(3,4)5/h12H,6-8H2,1-5H3
InChIKeyDFWVQVZASDPFNX-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 52.81
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
1-Trimethylsilylhept-2-yn-1-ol
CID 14026718
(Hex-1-yn-1-yloxy)triisopropylsilane
CID 11821158
2,4-Bis(trimethylsilyl)but-3-yn-2-ol
CID 15121706
7-Trimethylsilyl-2,5,5-trimethyl-3,6-heptadiyn-2-ol
CID 129805983
6-Dimethylethylsilyl-2-methylhexa-3,5-diyn-2-ol
CID 129806516
2-[Tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol
CID 135068800
2-Trimethylsilylnon-3-yn-2-ol
CID 166443136
2-Methyl-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol
CID 85976137
3-Triethylsilylbut-1-yn-1-ol
CID 19358394
2-Methyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol
CID 53253536

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyloct-3-yn-2-ol?
The IUPAC name of 2-trimethylsilyloct-3-yn-2-ol (CID 15500752) is 2-trimethylsilyloct-3-yn-2-ol.
What is the SMILES notation for 2-trimethylsilyloct-3-yn-2-ol?
The canonical SMILES for 2-trimethylsilyloct-3-yn-2-ol is CCCCC#CC(C)(O)[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilyloct-3-yn-2-ol?
The InChIKey is DFWVQVZASDPFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-6-7-8-9-10-11(2,12)13(3,4)5/h12H,6-8H2,1-5H3.
What are the key properties of 2-trimethylsilyloct-3-yn-2-ol?
2-trimethylsilyloct-3-yn-2-ol has a molecular weight of 198.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloct-3-yn-2-ol is sourced from PubChem (CID 15500752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).