2-methyl-3-trimethylsilyloct-4-yn-2-ol

C12H24OSi — CID 71412447

IUPAC2-methyl-3-trimethylsilyloct-4-yn-2-ol
SMILESCCCC#CC(C(C)(C)O)[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-7-8-9-10-11(12(2,3)13)14(4,5)6/h11,13H,7-8H2,1-6H3
InChIKeyFCZQJVBCQUBPFQ-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.27
Rot. Bonds3

About 2-methyl-3-trimethylsilyloct-4-yn-2-ol

2-methyl-3-trimethylsilyloct-4-yn-2-ol (PubChem CID 71412447) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 2-methyl-3-trimethylsilyloct-4-yn-2-ol.

Molecular Properties

Compound Name2-methyl-3-trimethylsilyloct-4-yn-2-ol
PubChem CID71412447
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name2-methyl-3-trimethylsilyloct-4-yn-2-ol
SMILESCCCC#CC(C(C)(C)O)[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-7-8-9-10-11(12(2,3)13)14(4,5)6/h11,13H,7-8H2,1-6H3
InChIKeyFCZQJVBCQUBPFQ-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 2-methyl-3-trimethylsilyloct-4-yn-2-ol?
The IUPAC name of 2-methyl-3-trimethylsilyloct-4-yn-2-ol (CID 71412447) is 2-methyl-3-trimethylsilyloct-4-yn-2-ol.
What is the SMILES notation for 2-methyl-3-trimethylsilyloct-4-yn-2-ol?
The canonical SMILES for 2-methyl-3-trimethylsilyloct-4-yn-2-ol is CCCC#CC(C(C)(C)O)[Si](C)(C)C.
What is the InChIKey of 2-methyl-3-trimethylsilyloct-4-yn-2-ol?
The InChIKey is FCZQJVBCQUBPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-7-8-9-10-11(12(2,3)13)14(4,5)6/h11,13H,7-8H2,1-6H3.
What are the key properties of 2-methyl-3-trimethylsilyloct-4-yn-2-ol?
2-methyl-3-trimethylsilyloct-4-yn-2-ol has a molecular weight of 212.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-trimethylsilyloct-4-yn-2-ol is sourced from PubChem (CID 71412447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).