tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-methylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane

C21H44O2Si2 — CID 10937883

IUPACtert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-methylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)C=CCCC1
InChIInChI=1S/C21H44O2Si2/c1-19(2,3)24(8,9)22-17-18(21(7)15-13-12-14-16-21)23-25(10,11)20(4,5)6/h13,15,18H,12,14,16-17H2,1-11H3/t18-,21-/m0/s1
InChIKeyPLHOAKCLJNELBY-RXVVDRJESA-N
MW384.75 g/mol
LogP7.14
Rot. Bonds6

About tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-methylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane

tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-methylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane (PubChem CID 10937883) has the molecular formula C21H44O2Si2 and a molecular weight of 384.75 g/mol. Its IUPAC name is tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-methylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-methylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane
PubChem CID10937883
Molecular FormulaC21H44O2Si2
Molecular Weight384.75 g/mol
Exact Mass384.29
IUPAC Nametert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-methylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)C=CCCC1
InChIInChI=1S/C21H44O2Si2/c1-19(2,3)24(8,9)22-17-18(21(7)15-13-12-14-16-21)23-25(10,11)20(4,5)6/h13,15,18H,12,14,16-17H2,1-11H3/t18-,21-/m0/s1
InChIKeyPLHOAKCLJNELBY-RXVVDRJESA-N
XLogP7.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.75
LogP ≤ 57.14
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

[3-[(E)-6-(5-methoxycyclohexen-1-yl)-3-methylhex-3-enyl]-3-methylcyclopenten-1-yl]oxy-trimethylsilane
CID 21578157
tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane
CID 11087190
tert-butyl-[(1S)-4-ethenyl-4-[(E)-3-methoxyprop-2-enyl]cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 12132481
tert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 14951420
[(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane
CID 134837952
tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
CID 134951609
[(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 134983004
[(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane
CID 134983644
tert-butyl-[2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane
CID 135003639
trimethyl-[(E)-3-[(1S,2R)-2-trimethylsilyloxycyclohexyl]prop-2-enyl]silane
CID 135066666
trimethyl-[(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexyl]oxysilane
CID 135067882
tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane
CID 18636587

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-methylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-methylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane (CID 10937883) is tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-methylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-methylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-methylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C)C=CCCC1.
What is the InChIKey of tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-methylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane?
The InChIKey is PLHOAKCLJNELBY-RXVVDRJESA-N. The full InChI is InChI=1S/C21H44O2Si2/c1-19(2,3)24(8,9)22-17-18(21(7)15-13-12-14-16-21)23-25(10,11)20(4,5)6/h13,15,18H,12,14,16-17H2,1-11H3/t18-,21-/m0/s1.
What are the key properties of tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-methylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane?
tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-methylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane has a molecular weight of 384.75 g/mol, XLogP of 7.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-methylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 10937883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).