tert-butyl-[6-[(E)-4-methoxybut-2-en-2-yl]cyclohexen-1-yl]oxy-dimethylsilane

C17H32O2Si — CID 100957898

IUPACtert-butyl-[6-[(E)-4-methoxybut-2-en-2-yl]cyclohexen-1-yl]oxy-dimethylsilane
SMILESCOC/C=C(\C)C1CCCC=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-14(12-13-18-5)15-10-8-9-11-16(15)19-20(6,7)17(2,3)4/h11-12,15H,8-10,13H2,1-7H3/b14-12+
InChIKeyACBJGUSZQAPEQU-WYMLVPIESA-N
MW296.53 g/mol
LogP5.28
Rot. Bonds5

About tert-butyl-[6-[(E)-4-methoxybut-2-en-2-yl]cyclohexen-1-yl]oxy-dimethylsilane

tert-butyl-[6-[(E)-4-methoxybut-2-en-2-yl]cyclohexen-1-yl]oxy-dimethylsilane (PubChem CID 100957898) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is tert-butyl-[6-[(E)-4-methoxybut-2-en-2-yl]cyclohexen-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[6-[(E)-4-methoxybut-2-en-2-yl]cyclohexen-1-yl]oxy-dimethylsilane
PubChem CID100957898
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Nametert-butyl-[6-[(E)-4-methoxybut-2-en-2-yl]cyclohexen-1-yl]oxy-dimethylsilane
SMILESCOC/C=C(\C)C1CCCC=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-14(12-13-18-5)15-10-8-9-11-16(15)19-20(6,7)17(2,3)4/h11-12,15H,8-10,13H2,1-7H3/b14-12+
InChIKeyACBJGUSZQAPEQU-WYMLVPIESA-N
XLogP5.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.28
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

trimethyl-[(3R,5R)-5-methyl-3-[(E)-4-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclohexen-1-yl]oxysilane
CID 11774244
Tert-butyl-[[6-(1-ethoxyethenyl)cyclohexen-1-yl]methoxy]-dimethylsilane
CID 102475886
[5-(2,6-Dimethylhept-5-enyl)-2,5-dihydrofuran-2-yl]methyl-trimethylsilane
CID 134996885
[(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane
CID 135070283
[(3R)-3-(3-butoxyprop-1-en-2-yl)-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427856
[(3R)-3-[(E)-3-butoxyprop-1-enyl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427857
[(3R)-2-butyl-3-(3-pentan-3-yloxyprop-1-en-2-yl)cyclohexen-1-yl]oxy-triethylsilane
CID 176427862
[(3R)-2-butyl-3-[(E)-3-pentan-3-yloxyprop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427863
[(3R)-3-[3-[(E)-but-2-enoxy]prop-1-en-2-yl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427868
[(3R)-3-[(E)-3-[(E)-but-2-enoxy]prop-1-enyl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427869
[(3R)-2-butyl-3-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427870
[(3R)-2-butyl-3-[(E)-3-(2-methylprop-2-enoxy)prop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427871

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6-[(E)-4-methoxybut-2-en-2-yl]cyclohexen-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[6-[(E)-4-methoxybut-2-en-2-yl]cyclohexen-1-yl]oxy-dimethylsilane (CID 100957898) is tert-butyl-[6-[(E)-4-methoxybut-2-en-2-yl]cyclohexen-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[6-[(E)-4-methoxybut-2-en-2-yl]cyclohexen-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[6-[(E)-4-methoxybut-2-en-2-yl]cyclohexen-1-yl]oxy-dimethylsilane is COC/C=C(\C)C1CCCC=C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[6-[(E)-4-methoxybut-2-en-2-yl]cyclohexen-1-yl]oxy-dimethylsilane?
The InChIKey is ACBJGUSZQAPEQU-WYMLVPIESA-N. The full InChI is InChI=1S/C17H32O2Si/c1-14(12-13-18-5)15-10-8-9-11-16(15)19-20(6,7)17(2,3)4/h11-12,15H,8-10,13H2,1-7H3/b14-12+.
What are the key properties of tert-butyl-[6-[(E)-4-methoxybut-2-en-2-yl]cyclohexen-1-yl]oxy-dimethylsilane?
tert-butyl-[6-[(E)-4-methoxybut-2-en-2-yl]cyclohexen-1-yl]oxy-dimethylsilane has a molecular weight of 296.53 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[6-[(E)-4-methoxybut-2-en-2-yl]cyclohexen-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 100957898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).