5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-ynoic acid

C17H32O3Si2 — CID 90947732

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-ynoic acid
SMILESCC(C)(C)[Si](C)(C)OC(CC#C[Si](C)(C)C)CC=CC(=O)O
InChIInChI=1S/C17H32O3Si2/c1-17(2,3)22(7,8)20-15(11-9-13-16(18)19)12-10-14-21(4,5)6/h9,13,15H,11-12H2,1-8H3,(H,18,19)
InChIKeyQYHVXBWCCKYKAG-UHFFFAOYSA-N
MW340.61 g/mol
LogP4.68
Rot. Bonds6

About 5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-ynoic acid

5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-ynoic acid (PubChem CID 90947732) has the molecular formula C17H32O3Si2 and a molecular weight of 340.61 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-ynoic acid.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-ynoic acid
PubChem CID90947732
Molecular FormulaC17H32O3Si2
Molecular Weight340.61 g/mol
Exact Mass340.19
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-ynoic acid
SMILESCC(C)(C)[Si](C)(C)OC(CC#C[Si](C)(C)C)CC=CC(=O)O
InChIInChI=1S/C17H32O3Si2/c1-17(2,3)22(7,8)20-15(11-9-13-16(18)19)12-10-14-21(4,5)6/h9,13,15H,11-12H2,1-8H3,(H,18,19)
InChIKeyQYHVXBWCCKYKAG-UHFFFAOYSA-N
XLogP4.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-ynoic acid?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-ynoic acid (CID 90947732) is 5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-ynoic acid.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-ynoic acid?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-ynoic acid is CC(C)(C)[Si](C)(C)OC(CC#C[Si](C)(C)C)CC=CC(=O)O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-ynoic acid?
The InChIKey is QYHVXBWCCKYKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si2/c1-17(2,3)22(7,8)20-15(11-9-13-16(18)19)12-10-14-21(4,5)6/h9,13,15H,11-12H2,1-8H3,(H,18,19).
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-ynoic acid?
5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-ynoic acid has a molecular weight of 340.61 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-ynoic acid is sourced from PubChem (CID 90947732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).