14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid

C34H52O5Si — CID 67997848

IUPAC14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCCCCCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C34H52O5Si/c1-34(2,3)40(4,5)38-27-21-13-11-9-7-6-8-10-12-20-26-30(32(35)36)39-33(37)31(28-22-16-14-17-23-28)29-24-18-15-19-25-29/h14-19,22-25,30-31H,6-13,20-21,26-27H2,1-5H3,(H,35,36)
InChIKeyOEDBNHGQDATHJH-UHFFFAOYSA-N
MW568.87 g/mol
LogP9.13
Rot. Bonds19

About 14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid

14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid (PubChem CID 67997848) has the molecular formula C34H52O5Si and a molecular weight of 568.87 g/mol. Its IUPAC name is 14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid.

Molecular Properties

Compound Name14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid
PubChem CID67997848
Molecular FormulaC34H52O5Si
Molecular Weight568.87 g/mol
Exact Mass568.36
IUPAC Name14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCCCCCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C34H52O5Si/c1-34(2,3)40(4,5)38-27-21-13-11-9-7-6-8-10-12-20-26-30(32(35)36)39-33(37)31(28-22-16-14-17-23-28)29-24-18-15-19-25-29/h14-19,22-25,30-31H,6-13,20-21,26-27H2,1-5H3,(H,35,36)
InChIKeyOEDBNHGQDATHJH-UHFFFAOYSA-N
XLogP9.13
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.87
LogP ≤ 59.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate
CID 46179798
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748
(2R)-2-(2,2-diphenylacetyl)oxypentanoic acid
CID 66664989
O-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]hydroxylamine
CID 71251740
(1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide
CID 91798381
6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid
CID 19776884
phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate
CID 10971723
7-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dimethoxyphenyl)heptanoic acid
CID 19042101
8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid
CID 142782912
tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane
CID 153444046
2-amino-5-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 175131179
tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane
CID 135068187

Frequently Asked Questions

What is the IUPAC name of 14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid?
The IUPAC name of 14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid (CID 67997848) is 14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid.
What is the SMILES notation for 14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid?
The canonical SMILES for 14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid is CC(C)(C)[Si](C)(C)OCCCCCCCCCCCCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of 14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid?
The InChIKey is OEDBNHGQDATHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52O5Si/c1-34(2,3)40(4,5)38-27-21-13-11-9-7-6-8-10-12-20-26-30(32(35)36)39-33(37)31(28-22-16-14-17-23-28)29-24-18-15-19-25-29/h14-19,22-25,30-31H,6-13,20-21,26-27H2,1-5H3,(H,35,36).
What are the key properties of 14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid?
14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid has a molecular weight of 568.87 g/mol, XLogP of 9.13, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid is sourced from PubChem (CID 67997848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).