[(3R,4R,6S)-3-ethenyl-6-phenyl-2,2-di(propan-2-yl)oxasilinan-4-yl]oxy-trimethylsilane

C21H36O2Si2 — CID 102519223

IUPAC[(3R,4R,6S)-3-ethenyl-6-phenyl-2,2-di(propan-2-yl)oxasilinan-4-yl]oxy-trimethylsilane
SMILESC=C[C@@H]1[C@H](O[Si](C)(C)C)C[C@@H](c2ccccc2)O[Si]1(C(C)C)C(C)C
InChIInChI=1S/C21H36O2Si2/c1-9-21-20(22-24(6,7)8)15-19(18-13-11-10-12-14-18)23-25(21,16(2)3)17(4)5/h9-14,16-17,19-21H,1,15H2,2-8H3/t19-,20+,21+/m0/s1
InChIKeyFRMNRYCOFHYUCM-PWRODBHTSA-N
MW376.69 g/mol
LogP6.69
Rot. Bonds6

About [(3R,4R,6S)-3-ethenyl-6-phenyl-2,2-di(propan-2-yl)oxasilinan-4-yl]oxy-trimethylsilane

[(3R,4R,6S)-3-ethenyl-6-phenyl-2,2-di(propan-2-yl)oxasilinan-4-yl]oxy-trimethylsilane (PubChem CID 102519223) has the molecular formula C21H36O2Si2 and a molecular weight of 376.69 g/mol. Its IUPAC name is [(3R,4R,6S)-3-ethenyl-6-phenyl-2,2-di(propan-2-yl)oxasilinan-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3R,4R,6S)-3-ethenyl-6-phenyl-2,2-di(propan-2-yl)oxasilinan-4-yl]oxy-trimethylsilane
PubChem CID102519223
Molecular FormulaC21H36O2Si2
Molecular Weight376.69 g/mol
Exact Mass376.23
IUPAC Name[(3R,4R,6S)-3-ethenyl-6-phenyl-2,2-di(propan-2-yl)oxasilinan-4-yl]oxy-trimethylsilane
SMILESC=C[C@@H]1[C@H](O[Si](C)(C)C)C[C@@H](c2ccccc2)O[Si]1(C(C)C)C(C)C
InChIInChI=1S/C21H36O2Si2/c1-9-21-20(22-24(6,7)8)15-19(18-13-11-10-12-14-18)23-25(21,16(2)3)17(4)5/h9-14,16-17,19-21H,1,15H2,2-8H3/t19-,20+,21+/m0/s1
InChIKeyFRMNRYCOFHYUCM-PWRODBHTSA-N
XLogP6.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.69
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[(3R,4R,6S)-3-ethenyl-2,2-diethyl-6-phenyloxasilinan-4-yl]oxy-trimethylsilane
CID 11428026
(2R,3S,4R,6S)-4-ethenyl-3-nitro-6-phenyl-2-propan-2-yloxane
CID 102259797
(3R,4S,7S,9R,11R)-3-ethenyl-9-[(2R)-2-phenylcyclohexyl]oxy-5,5-di(propan-2-yl)-2,6,10-trioxa-1-aza-5-silatricyclo[5.3.1.04,11]undecane
CID 134845849
2-phenyloxirane;3-prop-2-enoxyprop-1-ene
CID 87729483
methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenyl-prop-2-enylsilane
CID 102005829
(3R,5R)-3-ethenyl-5-phenyloxolan-2-one
CID 71408121
[(2R)-but-3-en-2-yl]-dimethyl-phenylsilane
CID 134947847
(5R)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 91555528
2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate
CID 141157512
[(2S,3S,4S,6S)-3-acetyloxy-2-methyl-6-phenyloxan-4-yl] acetate
CID 10039969
[(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 42643409
(3R,5R)-5-phenyl-3-prop-2-enyl-1,2-oxazolidine
CID 100981760

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,6S)-3-ethenyl-6-phenyl-2,2-di(propan-2-yl)oxasilinan-4-yl]oxy-trimethylsilane?
The IUPAC name of [(3R,4R,6S)-3-ethenyl-6-phenyl-2,2-di(propan-2-yl)oxasilinan-4-yl]oxy-trimethylsilane (CID 102519223) is [(3R,4R,6S)-3-ethenyl-6-phenyl-2,2-di(propan-2-yl)oxasilinan-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3R,4R,6S)-3-ethenyl-6-phenyl-2,2-di(propan-2-yl)oxasilinan-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(3R,4R,6S)-3-ethenyl-6-phenyl-2,2-di(propan-2-yl)oxasilinan-4-yl]oxy-trimethylsilane is C=C[C@@H]1[C@H](O[Si](C)(C)C)C[C@@H](c2ccccc2)O[Si]1(C(C)C)C(C)C.
What is the InChIKey of [(3R,4R,6S)-3-ethenyl-6-phenyl-2,2-di(propan-2-yl)oxasilinan-4-yl]oxy-trimethylsilane?
The InChIKey is FRMNRYCOFHYUCM-PWRODBHTSA-N. The full InChI is InChI=1S/C21H36O2Si2/c1-9-21-20(22-24(6,7)8)15-19(18-13-11-10-12-14-18)23-25(21,16(2)3)17(4)5/h9-14,16-17,19-21H,1,15H2,2-8H3/t19-,20+,21+/m0/s1.
What are the key properties of [(3R,4R,6S)-3-ethenyl-6-phenyl-2,2-di(propan-2-yl)oxasilinan-4-yl]oxy-trimethylsilane?
[(3R,4R,6S)-3-ethenyl-6-phenyl-2,2-di(propan-2-yl)oxasilinan-4-yl]oxy-trimethylsilane has a molecular weight of 376.69 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,6S)-3-ethenyl-6-phenyl-2,2-di(propan-2-yl)oxasilinan-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 102519223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).