[(Z)-[(2S,5R)-5-ethenyl-2-(2-phenylethyl)oxolan-3-ylidene]methyl]-trimethylsilane

C18H26OSi — CID 101224152

IUPAC[(Z)-[(2S,5R)-5-ethenyl-2-(2-phenylethyl)oxolan-3-ylidene]methyl]-trimethylsilane
SMILESC=C[C@H]1C/C(=C/[Si](C)(C)C)[C@H](CCc2ccccc2)O1
InChIInChI=1S/C18H26OSi/c1-5-17-13-16(14-20(2,3)4)18(19-17)12-11-15-9-7-6-8-10-15/h5-10,14,17-18H,1,11-13H2,2-4H3/b16-14-/t17-,18-/m0/s1
InChIKeyWRORZBYPXXGXNE-FCNQMZBHSA-N
MW286.49 g/mol
LogP4.77
Rot. Bonds5

About [(Z)-[(2S,5R)-5-ethenyl-2-(2-phenylethyl)oxolan-3-ylidene]methyl]-trimethylsilane

[(Z)-[(2S,5R)-5-ethenyl-2-(2-phenylethyl)oxolan-3-ylidene]methyl]-trimethylsilane (PubChem CID 101224152) has the molecular formula C18H26OSi and a molecular weight of 286.49 g/mol. Its IUPAC name is [(Z)-[(2S,5R)-5-ethenyl-2-(2-phenylethyl)oxolan-3-ylidene]methyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-[(2S,5R)-5-ethenyl-2-(2-phenylethyl)oxolan-3-ylidene]methyl]-trimethylsilane
PubChem CID101224152
Molecular FormulaC18H26OSi
Molecular Weight286.49 g/mol
Exact Mass286.18
IUPAC Name[(Z)-[(2S,5R)-5-ethenyl-2-(2-phenylethyl)oxolan-3-ylidene]methyl]-trimethylsilane
SMILESC=C[C@H]1C/C(=C/[Si](C)(C)C)[C@H](CCc2ccccc2)O1
InChIInChI=1S/C18H26OSi/c1-5-17-13-16(14-20(2,3)4)18(19-17)12-11-15-9-7-6-8-10-15/h5-10,14,17-18H,1,11-13H2,2-4H3/b16-14-/t17-,18-/m0/s1
InChIKeyWRORZBYPXXGXNE-FCNQMZBHSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane
CID 102357883
3-(2-phenylethyl)-4-prop-2-enyl-3H-1,2,4-triazole-5-thione
CID 170921860
(2S,4R,6R)-2-(2-phenylethyl)-6-prop-2-enyloxan-4-ol
CID 102185556
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749
(2S,6S)-5-methylidene-2,6-bis(2-phenylethyl)-1,3-dioxan-4-one
CID 135007210
(2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane
CID 59041484
(2S,6S)-6-methyl-2-(2-phenylethyl)-1,3-dioxan-4-one
CID 18631286
(4R,6S)-4-[[(4R,6R)-2,2-dimethyl-6-(3-phenylpropyl)-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane
CID 118085888
2-(4-pent-4-enylcyclohexyl)ethylbenzene
CID 56624486
2,5-bis(2-phenylethyl)-2,5-dihydrofuran
CID 177484094
5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 175040461
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(2S,5R)-5-ethenyl-2-(2-phenylethyl)oxolan-3-ylidene]methyl]-trimethylsilane?
The IUPAC name of [(Z)-[(2S,5R)-5-ethenyl-2-(2-phenylethyl)oxolan-3-ylidene]methyl]-trimethylsilane (CID 101224152) is [(Z)-[(2S,5R)-5-ethenyl-2-(2-phenylethyl)oxolan-3-ylidene]methyl]-trimethylsilane.
What is the SMILES notation for [(Z)-[(2S,5R)-5-ethenyl-2-(2-phenylethyl)oxolan-3-ylidene]methyl]-trimethylsilane?
The canonical SMILES for [(Z)-[(2S,5R)-5-ethenyl-2-(2-phenylethyl)oxolan-3-ylidene]methyl]-trimethylsilane is C=C[C@H]1C/C(=C/[Si](C)(C)C)[C@H](CCc2ccccc2)O1.
What is the InChIKey of [(Z)-[(2S,5R)-5-ethenyl-2-(2-phenylethyl)oxolan-3-ylidene]methyl]-trimethylsilane?
The InChIKey is WRORZBYPXXGXNE-FCNQMZBHSA-N. The full InChI is InChI=1S/C18H26OSi/c1-5-17-13-16(14-20(2,3)4)18(19-17)12-11-15-9-7-6-8-10-15/h5-10,14,17-18H,1,11-13H2,2-4H3/b16-14-/t17-,18-/m0/s1.
What are the key properties of [(Z)-[(2S,5R)-5-ethenyl-2-(2-phenylethyl)oxolan-3-ylidene]methyl]-trimethylsilane?
[(Z)-[(2S,5R)-5-ethenyl-2-(2-phenylethyl)oxolan-3-ylidene]methyl]-trimethylsilane has a molecular weight of 286.49 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2S,5R)-5-ethenyl-2-(2-phenylethyl)oxolan-3-ylidene]methyl]-trimethylsilane is sourced from PubChem (CID 101224152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).