tert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane

C18H36O2Si2 — CID 14951420

IUPACtert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESC=C[C@@]1(C)C=C(O[Si](C)(C)C)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si2/c1-11-18(5)14-15(19-21(6,7)8)12-13-16(18)20-22(9,10)17(2,3)4/h11,14,16H,1,12-13H2,2-10H3/t16-,18-/m0/s1
InChIKeyBGEJEWOHSCKTNU-WMZOPIPTSA-N
MW340.66 g/mol
LogP6.10
Rot. Bonds5

About tert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane (PubChem CID 14951420) has the molecular formula C18H36O2Si2 and a molecular weight of 340.66 g/mol. Its IUPAC name is tert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
PubChem CID14951420
Molecular FormulaC18H36O2Si2
Molecular Weight340.66 g/mol
Exact Mass340.23
IUPAC Nametert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESC=C[C@@]1(C)C=C(O[Si](C)(C)C)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si2/c1-11-18(5)14-15(19-21(6,7)8)12-13-16(18)20-22(9,10)17(2,3)4/h11,14,16H,1,12-13H2,2-10H3/t16-,18-/m0/s1
InChIKeyBGEJEWOHSCKTNU-WMZOPIPTSA-N
XLogP6.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.66
LogP ≤ 56.10
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

Tert-butyl-dimethyl-(4-trimethylsilyloxycyclohex-3-en-1-yl)oxysilane
CID 85257334
tert-butyl-dimethyl-[(1S)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane
CID 10756665
tert-butyl-[(1S,5Z,6S)-6-ethenyl-5-(methoxymethylidene)-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 53260831
[(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane
CID 134837952
tert-butyl-dimethyl-[(1R)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane
CID 134976038
tert-butyl-[2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane
CID 135003639
Cyclohexene, 3,5,5-trimethyl-3-[2-(trimethylsilyl)-(1E)-vinyl]-1-(trimethylsilyloxy)-
CID 5376002
Tert-butyl-dimethyl-[(2-trimethylsilyloxycyclohex-2-en-1-yl)methoxy]silane
CID 19379293
tert-butyl-[[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]methoxy]-dimethylsilane
CID 123801081
[(E,3S)-4,4-dimethyl-3-triethylsilyloxyhept-5-enoxy]-triethylsilane
CID 163405091
tert-butyl-dimethyl-[(1R,2R)-2-methyl-2-(4-methylpent-3-enyl)-4-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane
CID 10596925
tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-methylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane
CID 10937883

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane (CID 14951420) is tert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane is C=C[C@@]1(C)C=C(O[Si](C)(C)C)CC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is BGEJEWOHSCKTNU-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H36O2Si2/c1-11-18(5)14-15(19-21(6,7)8)12-13-16(18)20-22(9,10)17(2,3)4/h11,14,16H,1,12-13H2,2-10H3/t16-,18-/m0/s1.
What are the key properties of tert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 340.66 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 14951420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).