tert-butyl-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane

C13H24O2Si — CID 134975843

IUPACtert-butyl-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane
SMILESCOC1C=CCC=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(5,6)15-12-10-8-7-9-11(12)14-4/h7,9-11H,8H2,1-6H3
InChIKeyAHTATJMLKAHEDZ-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.87
Rot. Bonds3

About tert-butyl-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane

tert-butyl-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane (PubChem CID 134975843) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is tert-butyl-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane
PubChem CID134975843
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Nametert-butyl-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane
SMILESCOC1C=CCC=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(5,6)15-12-10-8-7-9-11(12)14-4/h7,9-11H,8H2,1-6H3
InChIKeyAHTATJMLKAHEDZ-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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Related Compounds

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CID 174090250
tert-butyl-[(2R)-1-(2-fluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]oxy-dimethylsilane
CID 174090259
tert-butyl-[[(2S,3S)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 10824866
tert-butyl-dimethyl-[(2,3,5-trimethyl-2H-furan-5-yl)methoxy]silane
CID 11253878
tert-butyl-[(2Z)-4-methoxy-6-methylhepta-2,5-dienoxy]-dimethylsilane
CID 11572572
tert-butyl-[[(2S,5S)-3,5-dimethyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 21630666
tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 101083171
Tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane
CID 102504792
(3-Methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane
CID 134906247
Tert-butyl-(3-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane
CID 134906464
(6-Methoxycyclohexa-1,4-dien-1-yl)oxy-dimethyl-propan-2-ylsilane
CID 134975764
tert-butyl-[[(2R,5S)-3,5-dimethyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 134978293

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane (CID 134975843) is tert-butyl-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane is COC1C=CCC=C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane?
The InChIKey is AHTATJMLKAHEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)16(5,6)15-12-10-8-7-9-11(12)14-4/h7,9-11H,8H2,1-6H3.
What are the key properties of tert-butyl-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane?
tert-butyl-(6-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-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 134975843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).