15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid

C21H42O4Si — CID 168962220

IUPAC15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C21H42O4Si/c1-21(2,3)26(4,5)25-18-14-10-9-12-16-19(22)15-11-7-6-8-13-17-20(23)24/h6-18H2,1-5H3,(H,23,24)
InChIKeyJDKUQLISVNLHDF-UHFFFAOYSA-N
MW386.65 g/mol
LogP6.34
Rot. Bonds16

About 15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid

15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid (PubChem CID 168962220) has the molecular formula C21H42O4Si and a molecular weight of 386.65 g/mol. Its IUPAC name is 15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid.

Molecular Properties

Compound Name15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid
PubChem CID168962220
Molecular FormulaC21H42O4Si
Molecular Weight386.65 g/mol
Exact Mass386.29
IUPAC Name15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C21H42O4Si/c1-21(2,3)26(4,5)25-18-14-10-9-12-16-19(22)15-11-7-6-8-13-17-20(23)24/h6-18H2,1-5H3,(H,23,24)
InChIKeyJDKUQLISVNLHDF-UHFFFAOYSA-N
XLogP6.34
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid
CID 10718218
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid
CID 164815617
2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide
CID 170899815
2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid
CID 123934980
(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
CID 87313123
10-[tert-butyl(dimethyl)silyl]oxy-1,1-dideuteriodecan-1-ol
CID 102212924
8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid
CID 142782912

Frequently Asked Questions

What is the IUPAC name of 15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid?
The IUPAC name of 15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid (CID 168962220) is 15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid.
What is the SMILES notation for 15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid?
The canonical SMILES for 15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid is CC(C)(C)[Si](C)(C)OCCCCCCC(=O)CCCCCCCC(=O)O.
What is the InChIKey of 15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid?
The InChIKey is JDKUQLISVNLHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O4Si/c1-21(2,3)26(4,5)25-18-14-10-9-12-16-19(22)15-11-7-6-8-13-17-20(23)24/h6-18H2,1-5H3,(H,23,24).
What are the key properties of 15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid?
15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid has a molecular weight of 386.65 g/mol, XLogP of 6.34, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid is sourced from PubChem (CID 168962220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).