tert-butyl-[(E)-3-[(1R,2S,3R)-3-methoxy-2-prop-2-enylcyclohexyl]but-2-enoxy]-dimethylsilane

C20H38O2Si — CID 71619466

IUPACtert-butyl-[(E)-3-[(1R,2S,3R)-3-methoxy-2-prop-2-enylcyclohexyl]but-2-enoxy]-dimethylsilane
SMILESC=CC[C@@H]1[C@H](OC)CCC[C@H]1/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O2Si/c1-9-11-18-17(12-10-13-19(18)21-6)16(2)14-15-22-23(7,8)20(3,4)5/h9,14,17-19H,1,10-13,15H2,2-8H3/b16-14+/t17-,18-,19+/m0/s1
InChIKeyVIEHFMDKCPOLEQ-ZGRLDMAISA-N
MW338.61 g/mol
LogP5.96
Rot. Bonds7

About tert-butyl-[(E)-3-[(1R,2S,3R)-3-methoxy-2-prop-2-enylcyclohexyl]but-2-enoxy]-dimethylsilane

tert-butyl-[(E)-3-[(1R,2S,3R)-3-methoxy-2-prop-2-enylcyclohexyl]but-2-enoxy]-dimethylsilane (PubChem CID 71619466) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is tert-butyl-[(E)-3-[(1R,2S,3R)-3-methoxy-2-prop-2-enylcyclohexyl]but-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-3-[(1R,2S,3R)-3-methoxy-2-prop-2-enylcyclohexyl]but-2-enoxy]-dimethylsilane
PubChem CID71619466
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Nametert-butyl-[(E)-3-[(1R,2S,3R)-3-methoxy-2-prop-2-enylcyclohexyl]but-2-enoxy]-dimethylsilane
SMILESC=CC[C@@H]1[C@H](OC)CCC[C@H]1/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O2Si/c1-9-11-18-17(12-10-13-19(18)21-6)16(2)14-15-22-23(7,8)20(3,4)5/h9,14,17-19H,1,10-13,15H2,2-8H3/b16-14+/t17-,18-,19+/m0/s1
InChIKeyVIEHFMDKCPOLEQ-ZGRLDMAISA-N
XLogP5.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.96
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'}

Analyze tert-butyl-[(E)-3-[(1R,2S,3R)-3-methoxy-2-prop-2-enylcyclohexyl]but-2-enoxy]-dimethylsilane with MolForge

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Related Compounds

[(4aS,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4,4a,5,8-hexahydro-1H-benzo[7]annulen-9-yl]oxy-tert-butyl-dimethylsilane
CID 11090852
[(E,1S)-1-cyclohexyl-2-ethylpent-2-enoxy]-triethylsilane
CID 102515909
[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane
CID 102515912
(4S,7R)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 134999408
(4S,7S)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 135000864
tert-butyl-[(1S,2Z,3R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-methyl-6-propan-2-ylcyclohexyl]oxy-dimethylsilane
CID 135025444
tert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane
CID 135074719
1-cyclohexylprop-2-enoxy-[(2E,5E)-hepta-2,5-dien-4-yl]oxy-di(propan-2-yl)silane
CID 135079746
[(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane
CID 139250257
[(3R)-2-butyl-3-[(E)-3-cyclohexyloxyprop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427859
[(3R)-2-butyl-3-[(E)-3-pentan-3-yloxyprop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427863
2-Penten-1-ol, 5-(2-(((1,1-dimethylethyl)dimethylsilyl)oxy)cyclohexyl)-, methyl ester, (1alpha(Z),2beta)-
CID 6442548

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-3-[(1R,2S,3R)-3-methoxy-2-prop-2-enylcyclohexyl]but-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-3-[(1R,2S,3R)-3-methoxy-2-prop-2-enylcyclohexyl]but-2-enoxy]-dimethylsilane (CID 71619466) is tert-butyl-[(E)-3-[(1R,2S,3R)-3-methoxy-2-prop-2-enylcyclohexyl]but-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-3-[(1R,2S,3R)-3-methoxy-2-prop-2-enylcyclohexyl]but-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-3-[(1R,2S,3R)-3-methoxy-2-prop-2-enylcyclohexyl]but-2-enoxy]-dimethylsilane is C=CC[C@@H]1[C@H](OC)CCC[C@H]1/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-3-[(1R,2S,3R)-3-methoxy-2-prop-2-enylcyclohexyl]but-2-enoxy]-dimethylsilane?
The InChIKey is VIEHFMDKCPOLEQ-ZGRLDMAISA-N. The full InChI is InChI=1S/C20H38O2Si/c1-9-11-18-17(12-10-13-19(18)21-6)16(2)14-15-22-23(7,8)20(3,4)5/h9,14,17-19H,1,10-13,15H2,2-8H3/b16-14+/t17-,18-,19+/m0/s1.
What are the key properties of tert-butyl-[(E)-3-[(1R,2S,3R)-3-methoxy-2-prop-2-enylcyclohexyl]but-2-enoxy]-dimethylsilane?
tert-butyl-[(E)-3-[(1R,2S,3R)-3-methoxy-2-prop-2-enylcyclohexyl]but-2-enoxy]-dimethylsilane has a molecular weight of 338.61 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-3-[(1R,2S,3R)-3-methoxy-2-prop-2-enylcyclohexyl]but-2-enoxy]-dimethylsilane is sourced from PubChem (CID 71619466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).