tert-butyl-[(1E)-1-methoxy-4-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane

C13H26O2Si — CID 23631393

IUPACtert-butyl-[(1E)-1-methoxy-4-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane
SMILESCO/C=C/C(O[Si](C)(C)C(C)(C)C)=C(C)C
InChIInChI=1S/C13H26O2Si/c1-11(2)12(9-10-14-6)15-16(7,8)13(3,4)5/h9-10H,1-8H3/b10-9+
InChIKeyQDXHRSXOUGGKRZ-MDZDMXLPSA-N
MW242.43 g/mol
LogP4.46
Rot. Bonds4

About tert-butyl-[(1E)-1-methoxy-4-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane

tert-butyl-[(1E)-1-methoxy-4-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane (PubChem CID 23631393) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is tert-butyl-[(1E)-1-methoxy-4-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1E)-1-methoxy-4-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane
PubChem CID23631393
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametert-butyl-[(1E)-1-methoxy-4-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane
SMILESCO/C=C/C(O[Si](C)(C)C(C)(C)C)=C(C)C
InChIInChI=1S/C13H26O2Si/c1-11(2)12(9-10-14-6)15-16(7,8)13(3,4)5/h9-10H,1-8H3/b10-9+
InChIKeyQDXHRSXOUGGKRZ-MDZDMXLPSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.46
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

tert-butyl-[(1E,3Z)-1-methoxypenta-1,3-dien-3-yl]oxy-dimethylsilane
CID 11009724
Tert-butyl-(4-methoxybuta-1,3-dien-2-yloxy)-dimethylsilane
CID 4060963
trans-3-(tert-Butyldimethylsilyloxy)-1-methoxy-1,3-butadiene
CID 6000481
trimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane
CID 10998392
trans-1-Methoxy-3-(triethylsilyloxy)-1,3-butadiene
CID 11298858
[(1E,3Z)-1-methoxypenta-1,3-dien-3-yl]oxy-trimethylsilane
CID 11830157
tert-butyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane
CID 13498541
ethyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane
CID 11736328
tert-butyl-[(3E)-3-(methoxymethylidene)penta-1,4-dien-2-yl]oxy-dimethylsilane
CID 71507796
tert-butyl-[(2E,4E)-5-methoxypenta-2,4-dienoxy]-dimethylsilane
CID 101028091
tert-butyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane
CID 101240150
[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane
CID 101985442

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1E)-1-methoxy-4-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1E)-1-methoxy-4-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane (CID 23631393) is tert-butyl-[(1E)-1-methoxy-4-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1E)-1-methoxy-4-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1E)-1-methoxy-4-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane is CO/C=C/C(O[Si](C)(C)C(C)(C)C)=C(C)C.
What is the InChIKey of tert-butyl-[(1E)-1-methoxy-4-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane?
The InChIKey is QDXHRSXOUGGKRZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-11(2)12(9-10-14-6)15-16(7,8)13(3,4)5/h9-10H,1-8H3/b10-9+.
What are the key properties of tert-butyl-[(1E)-1-methoxy-4-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane?
tert-butyl-[(1E)-1-methoxy-4-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane has a molecular weight of 242.43 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1E)-1-methoxy-4-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 23631393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).