9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoic acid

C15H28O3Si — CID 134893553

IUPAC9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC#CC(=O)O
InChIInChI=1S/C15H28O3Si/c1-15(2,3)19(4,5)18-13-11-9-7-6-8-10-12-14(16)17/h6-9,11,13H2,1-5H3,(H,16,17)
InChIKeyLCVSOIHGTHUQPF-UHFFFAOYSA-N
MW284.47 g/mol
LogP4.05
Rot. Bonds7

About 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoic acid

9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoic acid (PubChem CID 134893553) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoic acid.

Molecular Properties

Compound Name9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoic acid
PubChem CID134893553
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC#CC(=O)O
InChIInChI=1S/C15H28O3Si/c1-15(2,3)19(4,5)18-13-11-9-7-6-8-10-12-14(16)17/h6-9,11,13H2,1-5H3,(H,16,17)
InChIKeyLCVSOIHGTHUQPF-UHFFFAOYSA-N
XLogP4.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoic acid?
The IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoic acid (CID 134893553) is 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoic acid.
What is the SMILES notation for 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoic acid?
The canonical SMILES for 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoic acid is CC(C)(C)[Si](C)(C)OCCCCCCC#CC(=O)O.
What is the InChIKey of 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoic acid?
The InChIKey is LCVSOIHGTHUQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-15(2,3)19(4,5)18-13-11-9-7-6-8-10-12-14(16)17/h6-9,11,13H2,1-5H3,(H,16,17).
What are the key properties of 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoic acid?
9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoic acid has a molecular weight of 284.47 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[tert-butyl(dimethyl)silyl]oxynon-2-ynoic acid is sourced from PubChem (CID 134893553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).