6-hydroxy-8-trimethylsilyloct-7-ynoic acid

C11H20O3Si — CID 174052538

IUPAC6-hydroxy-8-trimethylsilyloct-7-ynoic acid
SMILESC[Si](C)(C)C#CC(O)CCCCC(=O)O
InChIInChI=1S/C11H20O3Si/c1-15(2,3)9-8-10(12)6-4-5-7-11(13)14/h10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyUCIUUWYTSBIVEV-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.87
Rot. Bonds5

About 6-hydroxy-8-trimethylsilyloct-7-ynoic acid

6-hydroxy-8-trimethylsilyloct-7-ynoic acid (PubChem CID 174052538) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is 6-hydroxy-8-trimethylsilyloct-7-ynoic acid.

Molecular Properties

Compound Name6-hydroxy-8-trimethylsilyloct-7-ynoic acid
PubChem CID174052538
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name6-hydroxy-8-trimethylsilyloct-7-ynoic acid
SMILESC[Si](C)(C)C#CC(O)CCCCC(=O)O
InChIInChI=1S/C11H20O3Si/c1-15(2,3)9-8-10(12)6-4-5-7-11(13)14/h10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyUCIUUWYTSBIVEV-UHFFFAOYSA-N
XLogP1.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
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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Related Compounds

(3R)-1-trimethylsilylpentadec-1-yn-3-ol
CID 10946406
(3S)-1-trimethylsilylhept-1-yn-3-ol
CID 12623486
7-hydroxydodec-5-ynoic acid
CID 169494808
(3S)-1-trimethylsilyldocosa-1,13-diyn-3-ol
CID 102332029
hexane-1,1-diol;tetradecanedioic acid
CID 175798727
decanedioic acid;tetradecane-1,1-diol
CID 175902897
dodecane-1,1-diol;hexanedioic acid
CID 160695318
dodecane-1,1-diol;bis(dodecanoic acid)
CID 121388000
(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol
CID 102063168
(E,3R)-1-trimethylsilyldocos-13-en-1-yn-3-ol
CID 102332031
9-hydroxy-11-(3-pentyloxiran-2-yl)undec-10-ynoic acid
CID 156679802
(6S)-6-hydroxydec-4-ynoic acid
CID 162981215

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-8-trimethylsilyloct-7-ynoic acid?
The IUPAC name of 6-hydroxy-8-trimethylsilyloct-7-ynoic acid (CID 174052538) is 6-hydroxy-8-trimethylsilyloct-7-ynoic acid.
What is the SMILES notation for 6-hydroxy-8-trimethylsilyloct-7-ynoic acid?
The canonical SMILES for 6-hydroxy-8-trimethylsilyloct-7-ynoic acid is C[Si](C)(C)C#CC(O)CCCCC(=O)O.
What is the InChIKey of 6-hydroxy-8-trimethylsilyloct-7-ynoic acid?
The InChIKey is UCIUUWYTSBIVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-15(2,3)9-8-10(12)6-4-5-7-11(13)14/h10,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 6-hydroxy-8-trimethylsilyloct-7-ynoic acid?
6-hydroxy-8-trimethylsilyloct-7-ynoic acid has a molecular weight of 228.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-8-trimethylsilyloct-7-ynoic acid is sourced from PubChem (CID 174052538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).