tert-butyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane

C13H26O2Si — CID 13498541

IUPACtert-butyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane
SMILESC/C=C(O[Si](C)(C)C(C)(C)C)/C(C)=C/OC
InChIInChI=1S/C13H26O2Si/c1-9-12(11(2)10-14-6)15-16(7,8)13(3,4)5/h9-10H,1-8H3/b11-10+,12-9-
InChIKeyBERBUCORUYUNLF-MWOVLNQWSA-N
MW242.43 g/mol
LogP4.46
Rot. Bonds4

About tert-butyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane

tert-butyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane (PubChem CID 13498541) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is tert-butyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane
PubChem CID13498541
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametert-butyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane
SMILESC/C=C(O[Si](C)(C)C(C)(C)C)/C(C)=C/OC
InChIInChI=1S/C13H26O2Si/c1-9-12(11(2)10-14-6)15-16(7,8)13(3,4)5/h9-10H,1-8H3/b11-10+,12-9-
InChIKeyBERBUCORUYUNLF-MWOVLNQWSA-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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane (CID 13498541) is tert-butyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane is C/C=C(O[Si](C)(C)C(C)(C)C)/C(C)=C/OC.
What is the InChIKey of tert-butyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane?
The InChIKey is BERBUCORUYUNLF-MWOVLNQWSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-9-12(11(2)10-14-6)15-16(7,8)13(3,4)5/h9-10H,1-8H3/b11-10+,12-9-.
What are the key properties of tert-butyl-[(1E,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane?
tert-butyl-[(1E,3Z)-1-methoxy-2-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,3Z)-1-methoxy-2-methylpenta-1,3-dien-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 13498541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).