3-[[3-cyclohexyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]methoxy]propylsilane

C21H33NO2Si — CID 164995189

IUPAC3-[[3-cyclohexyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]methoxy]propylsilane
SMILES[SiH3]CCCOCC1CN(C2CCCCC2)C(/C=C/c2ccccc2)O1
InChIInChI=1S/C21H33NO2Si/c25-15-7-14-23-17-20-16-22(19-10-5-2-6-11-19)21(24-20)13-12-18-8-3-1-4-9-18/h1,3-4,8-9,12-13,19-21H,2,5-7,10-11,14-17H2,25H3/b13-12+
InChIKeyHLKUWVOYJDSMRE-OUKQBFOZSA-N
MW359.59 g/mol
LogP3.25
Rot. Bonds8

About 3-[[3-cyclohexyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]methoxy]propylsilane

3-[[3-cyclohexyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]methoxy]propylsilane (PubChem CID 164995189) has the molecular formula C21H33NO2Si and a molecular weight of 359.59 g/mol. Its IUPAC name is 3-[[3-cyclohexyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]methoxy]propylsilane.

Molecular Properties

Compound Name3-[[3-cyclohexyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]methoxy]propylsilane
PubChem CID164995189
Molecular FormulaC21H33NO2Si
Molecular Weight359.59 g/mol
Exact Mass359.23
IUPAC Name3-[[3-cyclohexyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]methoxy]propylsilane
SMILES[SiH3]CCCOCC1CN(C2CCCCC2)C(/C=C/c2ccccc2)O1
InChIInChI=1S/C21H33NO2Si/c25-15-7-14-23-17-20-16-22(19-10-5-2-6-11-19)21(24-20)13-12-18-8-3-1-4-9-18/h1,3-4,8-9,12-13,19-21H,2,5-7,10-11,14-17H2,25H3/b13-12+
InChIKeyHLKUWVOYJDSMRE-OUKQBFOZSA-N
XLogP3.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.59
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-silylpropyl 3-[2-[(E)-2-phenylethenyl]-1,3-oxazolidin-3-yl]propanoate
CID 165021491
3-cyclohexyl-5-(ethoxymethyl)-2-(2-methylpropyl)-1,3-oxazolidine
CID 71430597
(2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine
CID 165343330
5-ethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidine-4-carbaldehyde
CID 174826555
2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
CID 29086670
2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane
CID 174818397
1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 70581540
(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
N-[[5-(3-phenylprop-2-enoxymethyl)oxolan-2-yl]methyl]propan-2-amine
CID 76943798
2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
(2S,3S)-2-methyl-1-[(2S,3S)-3-[(E)-2-phenylethenyl]oxiran-2-yl]-6-phenylmethoxyhexan-3-ol
CID 71733048
2-(2-cyclohexyloxyethoxy)ethenylbenzene
CID 69034794

Frequently Asked Questions

What is the IUPAC name of 3-[[3-cyclohexyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]methoxy]propylsilane?
The IUPAC name of 3-[[3-cyclohexyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]methoxy]propylsilane (CID 164995189) is 3-[[3-cyclohexyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]methoxy]propylsilane.
What is the SMILES notation for 3-[[3-cyclohexyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]methoxy]propylsilane?
The canonical SMILES for 3-[[3-cyclohexyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]methoxy]propylsilane is [SiH3]CCCOCC1CN(C2CCCCC2)C(/C=C/c2ccccc2)O1.
What is the InChIKey of 3-[[3-cyclohexyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]methoxy]propylsilane?
The InChIKey is HLKUWVOYJDSMRE-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H33NO2Si/c25-15-7-14-23-17-20-16-22(19-10-5-2-6-11-19)21(24-20)13-12-18-8-3-1-4-9-18/h1,3-4,8-9,12-13,19-21H,2,5-7,10-11,14-17H2,25H3/b13-12+.
What are the key properties of 3-[[3-cyclohexyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]methoxy]propylsilane?
3-[[3-cyclohexyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]methoxy]propylsilane has a molecular weight of 359.59 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-cyclohexyl-2-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]methoxy]propylsilane is sourced from PubChem (CID 164995189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).