tert-butyl-[(3E)-3-(methoxymethylidene)penta-1,4-dien-2-yl]oxy-dimethylsilane

C13H24O2Si — CID 71507796

IUPACtert-butyl-[(3E)-3-(methoxymethylidene)penta-1,4-dien-2-yl]oxy-dimethylsilane
SMILESC=C/C(=C\OC)C(=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-9-12(10-14-6)11(2)15-16(7,8)13(3,4)5/h9-10H,1-2H2,3-8H3/b12-10+
InChIKeySXPOZORQKFGXTF-ZRDIBKRKSA-N
MW240.42 g/mol
LogP4.24
Rot. Bonds5

About tert-butyl-[(3E)-3-(methoxymethylidene)penta-1,4-dien-2-yl]oxy-dimethylsilane

tert-butyl-[(3E)-3-(methoxymethylidene)penta-1,4-dien-2-yl]oxy-dimethylsilane (PubChem CID 71507796) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is tert-butyl-[(3E)-3-(methoxymethylidene)penta-1,4-dien-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3E)-3-(methoxymethylidene)penta-1,4-dien-2-yl]oxy-dimethylsilane
PubChem CID71507796
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Nametert-butyl-[(3E)-3-(methoxymethylidene)penta-1,4-dien-2-yl]oxy-dimethylsilane
SMILESC=C/C(=C\OC)C(=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-9-12(10-14-6)11(2)15-16(7,8)13(3,4)5/h9-10H,1-2H2,3-8H3/b12-10+
InChIKeySXPOZORQKFGXTF-ZRDIBKRKSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 54.24
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
[(3E)-4-methoxy-3-methylbuta-1,3-dien-2-yl]oxy-trimethylsilane
CID 10899374
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
tert-butyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane
CID 13498541
tert-butyl-dimethyl-[(1E)-3-methylbuta-1,3-dienoxy]silane
CID 15239765
[(4-Methoxy-3-methylbuta-1,3-dien-2-yl)oxy](trimethyl)silane
CID 54308306

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3E)-3-(methoxymethylidene)penta-1,4-dien-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3E)-3-(methoxymethylidene)penta-1,4-dien-2-yl]oxy-dimethylsilane (CID 71507796) is tert-butyl-[(3E)-3-(methoxymethylidene)penta-1,4-dien-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3E)-3-(methoxymethylidene)penta-1,4-dien-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3E)-3-(methoxymethylidene)penta-1,4-dien-2-yl]oxy-dimethylsilane is C=C/C(=C\OC)C(=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3E)-3-(methoxymethylidene)penta-1,4-dien-2-yl]oxy-dimethylsilane?
The InChIKey is SXPOZORQKFGXTF-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-9-12(10-14-6)11(2)15-16(7,8)13(3,4)5/h9-10H,1-2H2,3-8H3/b12-10+.
What are the key properties of tert-butyl-[(3E)-3-(methoxymethylidene)penta-1,4-dien-2-yl]oxy-dimethylsilane?
tert-butyl-[(3E)-3-(methoxymethylidene)penta-1,4-dien-2-yl]oxy-dimethylsilane has a molecular weight of 240.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3E)-3-(methoxymethylidene)penta-1,4-dien-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 71507796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).