tert-butyl-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane

C17H36O2Si2 — CID 10520358

IUPACtert-butyl-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane
SMILESC=C(/C=C/CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si2/c1-15(19-21(10,11)17(5,6)7)13-12-14-18-20(8,9)16(2,3)4/h12-13H,1,14H2,2-11H3/b13-12+
InChIKeyNCCZNUXPYZUGAO-OUKQBFOZSA-N
MW328.65 g/mol
LogP6.10
Rot. Bonds6

About tert-butyl-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane

tert-butyl-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane (PubChem CID 10520358) has the molecular formula C17H36O2Si2 and a molecular weight of 328.65 g/mol. Its IUPAC name is tert-butyl-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane
PubChem CID10520358
Molecular FormulaC17H36O2Si2
Molecular Weight328.65 g/mol
Exact Mass328.23
IUPAC Nametert-butyl-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane
SMILESC=C(/C=C/CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si2/c1-15(19-21(10,11)17(5,6)7)13-12-14-18-20(8,9)16(2,3)4/h12-13H,1,14H2,2-11H3/b13-12+
InChIKeyNCCZNUXPYZUGAO-OUKQBFOZSA-N
XLogP6.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.65
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3,10-Dioxa-2,11-disiladodeca-5,7-diene, 2,2,11,11-tetramethyl-
CID 5366452
2-Butene-1,4-diol, 2TBDMS derivative
CID 11141643
1,6-Bis(trimethylsilyloxy)-2,4-hexadiene
CID 552473
(Z)-2,2,3,3,10,10,11,11-octamethyl-4,9-dioxa-3,10-disiladodec-6-ene
CID 11023522
Tert-butyl(dimethyl)[(2E)-2,4-pentadienyloxy]silane
CID 11321567
tert-butyl-[(2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 13634985
tri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-enoxy]silane
CID 132569252
tert-butyl-[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilane
CID 10774928
tert-butyl-dimethyl-[(2Z,4E)-5-tributylstannylpenta-2,4-dienoxy]silane
CID 11202585
tert-butyl-[(2E,4Z)-5-butyltellanylpenta-2,4-dienoxy]-dimethylsilane
CID 11269049
tert-butyl-dimethyl-[(Z)-2-tributylstannyl-4-trimethylsilylbut-2-enoxy]silane
CID 14006077
tert-butyl-dimethyl-[(2Z)-penta-2,4-dienoxy]silane
CID 14897776

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane (CID 10520358) is tert-butyl-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane is C=C(/C=C/CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane?
The InChIKey is NCCZNUXPYZUGAO-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H36O2Si2/c1-15(19-21(10,11)17(5,6)7)13-12-14-18-20(8,9)16(2,3)4/h12-13H,1,14H2,2-11H3/b13-12+.
What are the key properties of tert-butyl-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane?
tert-butyl-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane has a molecular weight of 328.65 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoxy]-dimethylsilane is sourced from PubChem (CID 10520358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).