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

C15H30O3Si — CID 74343545

IUPAC9-[tert-butyl(dimethyl)silyl]oxynon-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC=CC(=O)O
InChIInChI=1S/C15H30O3Si/c1-15(2,3)19(4,5)18-13-11-9-7-6-8-10-12-14(16)17/h10,12H,6-9,11,13H2,1-5H3,(H,16,17)
InChIKeyHIHFTXAWSNMXNO-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.60
Rot. Bonds9

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

9-[tert-butyl(dimethyl)silyl]oxynon-2-enoic acid (PubChem CID 74343545) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is 9-[tert-butyl(dimethyl)silyl]oxynon-2-enoic acid.

Molecular Properties

Compound Name9-[tert-butyl(dimethyl)silyl]oxynon-2-enoic acid
PubChem CID74343545
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name9-[tert-butyl(dimethyl)silyl]oxynon-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC=CC(=O)O
InChIInChI=1S/C15H30O3Si/c1-15(2,3)19(4,5)18-13-11-9-7-6-8-10-12-14(16)17/h10,12H,6-9,11,13H2,1-5H3,(H,16,17)
InChIKeyHIHFTXAWSNMXNO-UHFFFAOYSA-N
XLogP4.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.60
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxynon-2-enoic acid?
The IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxynon-2-enoic acid (CID 74343545) is 9-[tert-butyl(dimethyl)silyl]oxynon-2-enoic acid.
What is the SMILES notation for 9-[tert-butyl(dimethyl)silyl]oxynon-2-enoic acid?
The canonical SMILES for 9-[tert-butyl(dimethyl)silyl]oxynon-2-enoic acid is CC(C)(C)[Si](C)(C)OCCCCCCC=CC(=O)O.
What is the InChIKey of 9-[tert-butyl(dimethyl)silyl]oxynon-2-enoic acid?
The InChIKey is HIHFTXAWSNMXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-15(2,3)19(4,5)18-13-11-9-7-6-8-10-12-14(16)17/h10,12H,6-9,11,13H2,1-5H3,(H,16,17).
What are the key properties of 9-[tert-butyl(dimethyl)silyl]oxynon-2-enoic acid?
9-[tert-butyl(dimethyl)silyl]oxynon-2-enoic acid has a molecular weight of 286.49 g/mol, XLogP of 4.60, 9 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-enoic acid is sourced from PubChem (CID 74343545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).