tert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane

C18H34OSi — CID 134855716

IUPACtert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane
SMILESC/C=C/C=C/[C@@H]1CCCC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-7-8-9-12-16-13-10-11-14-17(16)15-19-20(5,6)18(2,3)4/h7-9,12,16-17H,10-11,13-15H2,1-6H3/b8-7+,12-9+/t16-,17-/m1/s1
InChIKeyWCIMOOZTNOEORF-BQSKJVBLSA-N
MW294.56 g/mol
LogP5.95
Rot. Bonds5

About tert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane

tert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane (PubChem CID 134855716) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane
PubChem CID134855716
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Nametert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane
SMILESC/C=C/C=C/[C@@H]1CCCC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-7-8-9-12-16-13-10-11-14-17(16)15-19-20(5,6)18(2,3)4/h7-9,12,16-17H,10-11,13-15H2,1-6H3/b8-7+,12-9+/t16-,17-/m1/s1
InChIKeyWCIMOOZTNOEORF-BQSKJVBLSA-N
XLogP5.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
CID 11313354
(2E,4E)-5-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol
CID 49793326
[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane
CID 102515912
(2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dien-1-ol
CID 134833662
[(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane
CID 134855624
(E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol
CID 134973101
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
tert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane
CID 139263604
(S,e)-t-butyl(dimethyl)[(13-methylheptadec-10-en-1-yl)oxy]silane
CID 146679946
[(6R)-6-cyclohexyloct-7-enoxy]-tri(propan-2-yl)silane
CID 176426908
Silane, (1,1-dimethylethyl)dimethyl((2-(2-methyl-2,5-dodecadienyl)cyclohexyl)oxy)-, (1alpha,2beta(2E,5E))-
CID 6442713

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane (CID 134855716) is tert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane is C/C=C/C=C/[C@@H]1CCCC[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane?
The InChIKey is WCIMOOZTNOEORF-BQSKJVBLSA-N. The full InChI is InChI=1S/C18H34OSi/c1-7-8-9-12-16-13-10-11-14-17(16)15-19-20(5,6)18(2,3)4/h7-9,12,16-17H,10-11,13-15H2,1-6H3/b8-7+,12-9+/t16-,17-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane?
tert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane has a molecular weight of 294.56 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane is sourced from PubChem (CID 134855716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).