tert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane

C23H42O2Si — CID 11188127

IUPACtert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane
SMILESC=CCO[C@@]1(/C(C)=C/CO[Si](C)(C)C(C)(C)C)C[C@H](C)CC[C@H]1C(=C)C
InChIInChI=1S/C23H42O2Si/c1-11-15-24-23(17-19(4)12-13-21(23)18(2)3)20(5)14-16-25-26(9,10)22(6,7)8/h11,14,19,21H,1-2,12-13,15-17H2,3-10H3/b20-14+/t19-,21+,23-/m1/s1
InChIKeyGMSMYLAHHMWABG-ADCJFOLMSA-N
MW378.67 g/mol
LogP6.91
Rot. Bonds8

About tert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane

tert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane (PubChem CID 11188127) has the molecular formula C23H42O2Si and a molecular weight of 378.67 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane
PubChem CID11188127
Molecular FormulaC23H42O2Si
Molecular Weight378.67 g/mol
Exact Mass378.30
IUPAC Nametert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane
SMILESC=CCO[C@@]1(/C(C)=C/CO[Si](C)(C)C(C)(C)C)C[C@H](C)CC[C@H]1C(=C)C
InChIInChI=1S/C23H42O2Si/c1-11-15-24-23(17-19(4)12-13-21(23)18(2)3)20(5)14-16-25-26(9,10)22(6,7)8/h11,14,19,21H,1-2,12-13,15-17H2,3-10H3/b20-14+/t19-,21+,23-/m1/s1
InChIKeyGMSMYLAHHMWABG-ADCJFOLMSA-N
XLogP6.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.67
LogP ≤ 56.91
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-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane
CID 135074719
[(3R)-3-[(E)-3-butoxyprop-1-enyl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427857
[(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-[(E)-3-(2-methylprop-2-enoxy)prop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427871
(1R,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 10639867
[(1R,2S,5R)-1-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-5-methyl-2-propan-2-ylcyclohexyl] methyl carbonate
CID 10762625
tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcyclohexyl]oxy-dimethylsilane
CID 12111606
tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(E,2S)-4-(1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane
CID 25033625
tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(Z,2S)-4-(1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)but-3-en-2-yl]cyclohex-2-en-1-yl]oxysilane
CID 25033626
tert-butyl-dimethyl-[(1S,6R)-3-methyl-6-[(2S)-4-[(1R,2R,3R,4S)-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]butan-2-yl]cyclohex-2-en-1-yl]oxysilane
CID 66575495
tert-butyl-[(E)-3-[(1R,2S,3R)-3-methoxy-2-prop-2-enylcyclohexyl]but-2-enoxy]-dimethylsilane
CID 71619466

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane (CID 11188127) is tert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane is C=CCO[C@@]1(/C(C)=C/CO[Si](C)(C)C(C)(C)C)C[C@H](C)CC[C@H]1C(=C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane?
The InChIKey is GMSMYLAHHMWABG-ADCJFOLMSA-N. The full InChI is InChI=1S/C23H42O2Si/c1-11-15-24-23(17-19(4)12-13-21(23)18(2)3)20(5)14-16-25-26(9,10)22(6,7)8/h11,14,19,21H,1-2,12-13,15-17H2,3-10H3/b20-14+/t19-,21+,23-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane?
tert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane has a molecular weight of 378.67 g/mol, XLogP of 6.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane is sourced from PubChem (CID 11188127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).