tert-butyl-[(13Z,16Z)-docosa-13,16-dienoxy]-dimethylsilane

C28H56OSi — CID 6430207

IUPACtert-butyl-[(13Z,16Z)-docosa-13,16-dienoxy]-dimethylsilane
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-30(5,6)28(2,3)4/h11-12,14-15H,7-10,13,16-27H2,1-6H3/b12-11-,15-14-
InChIKeyOCSZPYKSLJZPSU-HDXUUTQWSA-N
MW436.84 g/mol
LogP10.38
Rot. Bonds20

About tert-butyl-[(13Z,16Z)-docosa-13,16-dienoxy]-dimethylsilane

tert-butyl-[(13Z,16Z)-docosa-13,16-dienoxy]-dimethylsilane (PubChem CID 6430207) has the molecular formula C28H56OSi and a molecular weight of 436.84 g/mol. Its IUPAC name is tert-butyl-[(13Z,16Z)-docosa-13,16-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(13Z,16Z)-docosa-13,16-dienoxy]-dimethylsilane
PubChem CID6430207
Molecular FormulaC28H56OSi
Molecular Weight436.84 g/mol
Exact Mass436.41
IUPAC Nametert-butyl-[(13Z,16Z)-docosa-13,16-dienoxy]-dimethylsilane
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-30(5,6)28(2,3)4/h11-12,14-15H,7-10,13,16-27H2,1-6H3/b12-11-,15-14-
InChIKeyOCSZPYKSLJZPSU-HDXUUTQWSA-N
XLogP10.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.84
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(13Z,16Z)-docosa-13,16-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(13Z,16Z)-docosa-13,16-dienoxy]-dimethylsilane (CID 6430207) is tert-butyl-[(13Z,16Z)-docosa-13,16-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(13Z,16Z)-docosa-13,16-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(13Z,16Z)-docosa-13,16-dienoxy]-dimethylsilane is CCCCC/C=C\C/C=C\CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(13Z,16Z)-docosa-13,16-dienoxy]-dimethylsilane?
The InChIKey is OCSZPYKSLJZPSU-HDXUUTQWSA-N. The full InChI is InChI=1S/C28H56OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-30(5,6)28(2,3)4/h11-12,14-15H,7-10,13,16-27H2,1-6H3/b12-11-,15-14-.
What are the key properties of tert-butyl-[(13Z,16Z)-docosa-13,16-dienoxy]-dimethylsilane?
tert-butyl-[(13Z,16Z)-docosa-13,16-dienoxy]-dimethylsilane has a molecular weight of 436.84 g/mol, XLogP of 10.38, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(13Z,16Z)-docosa-13,16-dienoxy]-dimethylsilane is sourced from PubChem (CID 6430207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).