[tert-butyl(dimethyl)silyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

C26H44O2Si — CID 91697183

IUPAC[tert-butyl(dimethyl)silyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H44O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(27)28-29(5,6)26(2,3)4/h8-9,11-12,14-15,17-18,20-21H,7,10,13,16,19,22-24H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-
InChIKeyHOCHZABOEHUCRO-QXPWYRSVSA-N
MW416.72 g/mol
LogP8.46
Rot. Bonds14

About [tert-butyl(dimethyl)silyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

[tert-butyl(dimethyl)silyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate (PubChem CID 91697183) has the molecular formula C26H44O2Si and a molecular weight of 416.72 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
PubChem CID91697183
Molecular FormulaC26H44O2Si
Molecular Weight416.72 g/mol
Exact Mass416.31
IUPAC Name[tert-butyl(dimethyl)silyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H44O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(27)28-29(5,6)26(2,3)4/h8-9,11-12,14-15,17-18,20-21H,7,10,13,16,19,22-24H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-
InChIKeyHOCHZABOEHUCRO-QXPWYRSVSA-N
XLogP8.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.72
LogP ≤ 58.46
H-Bond Donors ≤ 50
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 [tert-butyl(dimethyl)silyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate (CID 91697183) is [tert-butyl(dimethyl)silyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate?
The InChIKey is HOCHZABOEHUCRO-QXPWYRSVSA-N. The full InChI is InChI=1S/C26H44O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(27)28-29(5,6)26(2,3)4/h8-9,11-12,14-15,17-18,20-21H,7,10,13,16,19,22-24H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-.
What are the key properties of [tert-butyl(dimethyl)silyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate?
[tert-butyl(dimethyl)silyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate has a molecular weight of 416.72 g/mol, XLogP of 8.46, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate is sourced from PubChem (CID 91697183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).