[(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane

C17H32OSi — CID 134855624

IUPAC[(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane
SMILESC=C/C=C/[C@@H]1CCCC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-7-8-11-15-12-9-10-13-16(15)14-18-19(5,6)17(2,3)4/h7-8,11,15-16H,1,9-10,12-14H2,2-6H3/b11-8+/t15-,16-/m1/s1
InChIKeyCTOZIUIZPATODJ-ZVYLKZBJSA-N
MW280.53 g/mol
LogP5.56
Rot. Bonds5

About [(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane

[(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane (PubChem CID 134855624) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is [(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane
PubChem CID134855624
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Name[(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane
SMILESC=C/C=C/[C@@H]1CCCC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-7-8-11-15-12-9-10-13-16(15)14-18-19(5,6)17(2,3)4/h7-8,11,15-16H,1,9-10,12-14H2,2-6H3/b11-8+/t15-,16-/m1/s1
InChIKeyCTOZIUIZPATODJ-ZVYLKZBJSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.56
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
tert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane
CID 134855716
(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 [(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane (CID 134855624) is [(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane is C=C/C=C/[C@@H]1CCCC[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is CTOZIUIZPATODJ-ZVYLKZBJSA-N. The full InChI is InChI=1S/C17H32OSi/c1-7-8-11-15-12-9-10-13-16(15)14-18-19(5,6)17(2,3)4/h7-8,11,15-16H,1,9-10,12-14H2,2-6H3/b11-8+/t15-,16-/m1/s1.
What are the key properties of [(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane?
[(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 280.53 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134855624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).