4,4-dimethyl-1-trimethylsilyloct-1-yn-3-ol

C13H26OSi — CID 23389311

IUPAC4,4-dimethyl-1-trimethylsilyloct-1-yn-3-ol
SMILESCCCCC(C)(C)C(O)C#C[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-7-8-10-13(2,3)12(14)9-11-15(4,5)6/h12,14H,7-8,10H2,1-6H3
InChIKeyNHLZGWVPOLHMPU-UHFFFAOYSA-N
MW226.44 g/mol
LogP3.44
Rot. Bonds4

About 4,4-dimethyl-1-trimethylsilyloct-1-yn-3-ol

4,4-dimethyl-1-trimethylsilyloct-1-yn-3-ol (PubChem CID 23389311) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is 4,4-dimethyl-1-trimethylsilyloct-1-yn-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-trimethylsilyloct-1-yn-3-ol
PubChem CID23389311
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name4,4-dimethyl-1-trimethylsilyloct-1-yn-3-ol
SMILESCCCCC(C)(C)C(O)C#C[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-7-8-10-13(2,3)12(14)9-11-15(4,5)6/h12,14H,7-8,10H2,1-6H3
InChIKeyNHLZGWVPOLHMPU-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 53.44
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 4,4-dimethyl-1-trimethylsilyloct-1-yn-3-ol?
The IUPAC name of 4,4-dimethyl-1-trimethylsilyloct-1-yn-3-ol (CID 23389311) is 4,4-dimethyl-1-trimethylsilyloct-1-yn-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-trimethylsilyloct-1-yn-3-ol?
The canonical SMILES for 4,4-dimethyl-1-trimethylsilyloct-1-yn-3-ol is CCCCC(C)(C)C(O)C#C[Si](C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-trimethylsilyloct-1-yn-3-ol?
The InChIKey is NHLZGWVPOLHMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-7-8-10-13(2,3)12(14)9-11-15(4,5)6/h12,14H,7-8,10H2,1-6H3.
What are the key properties of 4,4-dimethyl-1-trimethylsilyloct-1-yn-3-ol?
4,4-dimethyl-1-trimethylsilyloct-1-yn-3-ol has a molecular weight of 226.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-trimethylsilyloct-1-yn-3-ol is sourced from PubChem (CID 23389311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).