(5E,8E,11E,14E)-20-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14-tetraenoic acid

C26H46O3Si — CID 125304815

IUPAC(5E,8E,11E,14E)-20-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14-tetraenoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O
InChIInChI=1S/C26H46O3Si/c1-26(2,3)30(4,5)29-24-22-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-23-25(27)28/h6,8-9,11-12,14-15,17H,7,10,13,16,18-24H2,1-5H3,(H,27,28)/b8-6+,11-9+,14-12+,17-15+
InChIKeyKGOSXZYSKSBEHU-ZOCHDIHHSA-N
MW434.74 g/mol
LogP8.22
Rot. Bonds17

About (5E,8E,11E,14E)-20-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14-tetraenoic acid

(5E,8E,11E,14E)-20-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14-tetraenoic acid (PubChem CID 125304815) has the molecular formula C26H46O3Si and a molecular weight of 434.74 g/mol. Its IUPAC name is (5E,8E,11E,14E)-20-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name(5E,8E,11E,14E)-20-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14-tetraenoic acid
PubChem CID125304815
Molecular FormulaC26H46O3Si
Molecular Weight434.74 g/mol
Exact Mass434.32
IUPAC Name(5E,8E,11E,14E)-20-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14-tetraenoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O
InChIInChI=1S/C26H46O3Si/c1-26(2,3)30(4,5)29-24-22-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-23-25(27)28/h6,8-9,11-12,14-15,17H,7,10,13,16,18-24H2,1-5H3,(H,27,28)/b8-6+,11-9+,14-12+,17-15+
InChIKeyKGOSXZYSKSBEHU-ZOCHDIHHSA-N
XLogP8.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.74
LogP ≤ 58.22
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E,8E,11E,14E)-20-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14-tetraenoic acid?
The IUPAC name of (5E,8E,11E,14E)-20-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14-tetraenoic acid (CID 125304815) is (5E,8E,11E,14E)-20-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14-tetraenoic acid.
What is the SMILES notation for (5E,8E,11E,14E)-20-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14-tetraenoic acid?
The canonical SMILES for (5E,8E,11E,14E)-20-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14-tetraenoic acid is CC(C)(C)[Si](C)(C)OCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O.
What is the InChIKey of (5E,8E,11E,14E)-20-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14-tetraenoic acid?
The InChIKey is KGOSXZYSKSBEHU-ZOCHDIHHSA-N. The full InChI is InChI=1S/C26H46O3Si/c1-26(2,3)30(4,5)29-24-22-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-23-25(27)28/h6,8-9,11-12,14-15,17H,7,10,13,16,18-24H2,1-5H3,(H,27,28)/b8-6+,11-9+,14-12+,17-15+.
What are the key properties of (5E,8E,11E,14E)-20-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14-tetraenoic acid?
(5E,8E,11E,14E)-20-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14-tetraenoic acid has a molecular weight of 434.74 g/mol, XLogP of 8.22, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8E,11E,14E)-20-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 125304815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).