cis-(1S,2R)-2-[(E)-3-triphenylsilylprop-2-enyl]cyclohexan-1-ol

C27H30OSi — CID 14203416

IUPACcis-(1S,2R)-2-[(E)-3-triphenylsilylprop-2-enyl]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1C/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30OSi/c28-27-21-11-10-13-23(27)14-12-22-29(24-15-4-1-5-16-24,25-17-6-2-7-18-25)26-19-8-3-9-20-26/h1-9,12,15-20,22-23,27-28H,10-11,13-14,21H2/b22-12+/t23-,27+/m1/s1
InChIKeyZJGKEHISMUIPFD-DCDLNCORSA-N
MW398.62 g/mol
LogP4.19
Rot. Bonds6

About cis-(1S,2R)-2-[(E)-3-triphenylsilylprop-2-enyl]cyclohexan-1-ol

cis-(1S,2R)-2-[(E)-3-triphenylsilylprop-2-enyl]cyclohexan-1-ol (PubChem CID 14203416) has the molecular formula C27H30OSi and a molecular weight of 398.62 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(E)-3-triphenylsilylprop-2-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(E)-3-triphenylsilylprop-2-enyl]cyclohexan-1-ol
PubChem CID14203416
Molecular FormulaC27H30OSi
Molecular Weight398.62 g/mol
Exact Mass398.21
IUPAC Namecis-(1S,2R)-2-[(E)-3-triphenylsilylprop-2-enyl]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1C/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30OSi/c28-27-21-11-10-13-23(27)14-12-22-29(24-15-4-1-5-16-24,25-17-6-2-7-18-25)26-19-8-3-9-20-26/h1-9,12,15-20,22-23,27-28H,10-11,13-14,21H2/b22-12+/t23-,27+/m1/s1
InChIKeyZJGKEHISMUIPFD-DCDLNCORSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.62
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-cyclohexylethenyl]-triphenylsilane
CID 102404130
trans-(1S,2S)-2-[(E)-4-trimethylsilylbut-2-enyl]cyclohexan-1-ol
CID 12060656
[(1E,4Z)-hexa-1,4-dienyl]-triphenylsilane
CID 10903938
trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956
2-[(benzylamino)methyl]cycloheptan-1-ol
CID 13427953
tris(cyclohexanol);hydroxy(triphenyl)silane;zirconium
CID 140942551
2-(2-phenylsulfanylethyl)cyclohexan-1-ol
CID 79228950
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 12651711
trans-(2R,3S)-2-phenyl-3-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-one
CID 134968226
[(E)-2-cyclohexylethenyl]-dimethyl-phenylsilane
CID 135044086
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(E)-3-triphenylsilylprop-2-enyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(E)-3-triphenylsilylprop-2-enyl]cyclohexan-1-ol (CID 14203416) is cis-(1S,2R)-2-[(E)-3-triphenylsilylprop-2-enyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(E)-3-triphenylsilylprop-2-enyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(E)-3-triphenylsilylprop-2-enyl]cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1C/C=C/[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-[(E)-3-triphenylsilylprop-2-enyl]cyclohexan-1-ol?
The InChIKey is ZJGKEHISMUIPFD-DCDLNCORSA-N. The full InChI is InChI=1S/C27H30OSi/c28-27-21-11-10-13-23(27)14-12-22-29(24-15-4-1-5-16-24,25-17-6-2-7-18-25)26-19-8-3-9-20-26/h1-9,12,15-20,22-23,27-28H,10-11,13-14,21H2/b22-12+/t23-,27+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(E)-3-triphenylsilylprop-2-enyl]cyclohexan-1-ol?
cis-(1S,2R)-2-[(E)-3-triphenylsilylprop-2-enyl]cyclohexan-1-ol has a molecular weight of 398.62 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(E)-3-triphenylsilylprop-2-enyl]cyclohexan-1-ol is sourced from PubChem (CID 14203416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).