10-[tert-butyl(diphenyl)silyl]oxydecanoic acid

C26H38O3Si — CID 86078719

IUPAC10-[tert-butyl(diphenyl)silyl]oxydecanoic acid
SMILESCC(C)(C)[Si](OCCCCCCCCCC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H38O3Si/c1-26(2,3)30(23-17-11-9-12-18-23,24-19-13-10-14-20-24)29-22-16-8-6-4-5-7-15-21-25(27)28/h9-14,17-20H,4-8,15-16,21-22H2,1-3H3,(H,27,28)
InChIKeyKSZYNNLJYYNUGW-UHFFFAOYSA-N
MW426.67 g/mol
LogP5.77
Rot. Bonds13

About 10-[tert-butyl(diphenyl)silyl]oxydecanoic acid

10-[tert-butyl(diphenyl)silyl]oxydecanoic acid (PubChem CID 86078719) has the molecular formula C26H38O3Si and a molecular weight of 426.67 g/mol. Its IUPAC name is 10-[tert-butyl(diphenyl)silyl]oxydecanoic acid.

Molecular Properties

Compound Name10-[tert-butyl(diphenyl)silyl]oxydecanoic acid
PubChem CID86078719
Molecular FormulaC26H38O3Si
Molecular Weight426.67 g/mol
Exact Mass426.26
IUPAC Name10-[tert-butyl(diphenyl)silyl]oxydecanoic acid
SMILESCC(C)(C)[Si](OCCCCCCCCCC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H38O3Si/c1-26(2,3)30(23-17-11-9-12-18-23,24-19-13-10-14-20-24)29-22-16-8-6-4-5-7-15-21-25(27)28/h9-14,17-20H,4-8,15-16,21-22H2,1-3H3,(H,27,28)
InChIKeyKSZYNNLJYYNUGW-UHFFFAOYSA-N
XLogP5.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.67
LogP ≤ 55.77
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'}

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Frequently Asked Questions

What is the IUPAC name of 10-[tert-butyl(diphenyl)silyl]oxydecanoic acid?
The IUPAC name of 10-[tert-butyl(diphenyl)silyl]oxydecanoic acid (CID 86078719) is 10-[tert-butyl(diphenyl)silyl]oxydecanoic acid.
What is the SMILES notation for 10-[tert-butyl(diphenyl)silyl]oxydecanoic acid?
The canonical SMILES for 10-[tert-butyl(diphenyl)silyl]oxydecanoic acid is CC(C)(C)[Si](OCCCCCCCCCC(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 10-[tert-butyl(diphenyl)silyl]oxydecanoic acid?
The InChIKey is KSZYNNLJYYNUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O3Si/c1-26(2,3)30(23-17-11-9-12-18-23,24-19-13-10-14-20-24)29-22-16-8-6-4-5-7-15-21-25(27)28/h9-14,17-20H,4-8,15-16,21-22H2,1-3H3,(H,27,28).
What are the key properties of 10-[tert-butyl(diphenyl)silyl]oxydecanoic acid?
10-[tert-butyl(diphenyl)silyl]oxydecanoic acid has a molecular weight of 426.67 g/mol, XLogP of 5.77, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[tert-butyl(diphenyl)silyl]oxydecanoic acid is sourced from PubChem (CID 86078719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).