tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane

C13H24O2Si — CID 134906464

IUPACtert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane
SMILESCOC1C=CCC(O[Si](C)(C)C(C)(C)C)=C1
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(5,6)15-12-9-7-8-11(10-12)14-4/h7-8,10-11H,9H2,1-6H3
InChIKeyAEVJEWZYLJJORI-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.87
Rot. Bonds3

About tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane

tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane (PubChem CID 134906464) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane
PubChem CID134906464
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Nametert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane
SMILESCOC1C=CCC(O[Si](C)(C)C(C)(C)C)=C1
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(5,6)15-12-9-7-8-11(10-12)14-4/h7-8,10-11H,9H2,1-6H3
InChIKeyAEVJEWZYLJJORI-UHFFFAOYSA-N
XLogP3.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane (CID 134906464) is tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane is COC1C=CCC(O[Si](C)(C)C(C)(C)C)=C1.
What is the InChIKey of tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane?
The InChIKey is AEVJEWZYLJJORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)16(5,6)15-12-9-7-8-11(10-12)14-4/h7-8,10-11H,9H2,1-6H3.
What are the key properties of tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane?
tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane has a molecular weight of 240.42 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 134906464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).