tert-butyl-[(1E)-1-methoxypenta-1,3-dien-3-yl]oxy-dimethylsilane

C12H24O2Si — CID 134972826

IUPACtert-butyl-[(1E)-1-methoxypenta-1,3-dien-3-yl]oxy-dimethylsilane
SMILESCC=C(/C=C/OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-8-11(9-10-13-5)14-15(6,7)12(2,3)4/h8-10H,1-7H3/b10-9+,11-8?
InChIKeyLVBNCGTVVYRYFT-SNTSVPHFSA-N
MW228.41 g/mol
LogP4.07
Rot. Bonds4

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

tert-butyl-[(1E)-1-methoxypenta-1,3-dien-3-yl]oxy-dimethylsilane (PubChem CID 134972826) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is tert-butyl-[(1E)-1-methoxypenta-1,3-dien-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1E)-1-methoxypenta-1,3-dien-3-yl]oxy-dimethylsilane
PubChem CID134972826
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-[(1E)-1-methoxypenta-1,3-dien-3-yl]oxy-dimethylsilane
SMILESCC=C(/C=C/OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-8-11(9-10-13-5)14-15(6,7)12(2,3)4/h8-10H,1-7H3/b10-9+,11-8?
InChIKeyLVBNCGTVVYRYFT-SNTSVPHFSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 54.07
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

trans-1-Methoxy-3-trimethylsilyloxy-1,3-butadiene
CID 5366448
1-Methoxy-3-(trimethylsiloxy)-1,3-butadiene
CID 6436851
1-Methoxy-3-trimethylsilyloxy-1,3-butadiene
CID 101051
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
[(3E)-4-methoxypenta-1,3-dien-2-yl]oxy-trimethylsilane
CID 11469505
tert-butyl-[(1Z,3Z)-1-methoxypenta-1,3-dienoxy]-dimethylsilane
CID 11817041
[(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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1E)-1-methoxypenta-1,3-dien-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1E)-1-methoxypenta-1,3-dien-3-yl]oxy-dimethylsilane (CID 134972826) is tert-butyl-[(1E)-1-methoxypenta-1,3-dien-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1E)-1-methoxypenta-1,3-dien-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1E)-1-methoxypenta-1,3-dien-3-yl]oxy-dimethylsilane is CC=C(/C=C/OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1E)-1-methoxypenta-1,3-dien-3-yl]oxy-dimethylsilane?
The InChIKey is LVBNCGTVVYRYFT-SNTSVPHFSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-8-11(9-10-13-5)14-15(6,7)12(2,3)4/h8-10H,1-7H3/b10-9+,11-8?.
What are the key properties of tert-butyl-[(1E)-1-methoxypenta-1,3-dien-3-yl]oxy-dimethylsilane?
tert-butyl-[(1E)-1-methoxypenta-1,3-dien-3-yl]oxy-dimethylsilane has a molecular weight of 228.41 g/mol, XLogP of 4.07, 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-methoxypenta-1,3-dien-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 134972826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).