tert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane

C22H36O4Si — CID 102400006

IUPACtert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane
SMILESC=C1C[C@@H](CCOCc2ccccc2)OC(OC)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H36O4Si/c1-17-15-19(13-14-24-16-18-11-9-8-10-12-18)25-21(23-5)20(17)26-27(6,7)22(2,3)4/h8-12,19-21H,1,13-16H2,2-7H3/t19-,20-,21?/m1/s1
InChIKeySRFZXDDEYSMVPA-OSBQEZSISA-N
MW392.61 g/mol
LogP5.30
Rot. Bonds8

About tert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane

tert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane (PubChem CID 102400006) has the molecular formula C22H36O4Si and a molecular weight of 392.61 g/mol. Its IUPAC name is tert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane
PubChem CID102400006
Molecular FormulaC22H36O4Si
Molecular Weight392.61 g/mol
Exact Mass392.24
IUPAC Nametert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane
SMILESC=C1C[C@@H](CCOCc2ccccc2)OC(OC)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H36O4Si/c1-17-15-19(13-14-24-16-18-11-9-8-10-12-18)25-21(23-5)20(17)26-27(6,7)22(2,3)4/h8-12,19-21H,1,13-16H2,2-7H3/t19-,20-,21?/m1/s1
InChIKeySRFZXDDEYSMVPA-OSBQEZSISA-N
XLogP5.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.61
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane
CID 102400011
tert-butyl-[2-[(6R)-4-methylidene-6-(phenylmethoxymethyl)oxan-2-yl]ethoxy]-diphenylsilane
CID 101170902
methyl 2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidene-4-(3-phenylmethoxypropoxy)cyclohexylidene]acetate
CID 173270962
tert-butyl-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-dimethylsilane
CID 132937828
(2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one
CID 11302737
(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane
CID 71070891
(2R)-1-[(2R,3R,4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,5-dimethyloxan-2-yl]-3-phenylmethoxypropan-2-ol
CID 11453443
dimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane
CID 100983522
[(6R)-4-methylidene-6-(2-phenylmethoxyethyl)oxan-2-yl] acetate
CID 11335263
(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxane-3,5-diol
CID 102125850
tert-butyl-[4-fluoro-1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]oxy-dimethylsilane
CID 171837871
2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol
CID 156747530

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane (CID 102400006) is tert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane is C=C1C[C@@H](CCOCc2ccccc2)OC(OC)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane?
The InChIKey is SRFZXDDEYSMVPA-OSBQEZSISA-N. The full InChI is InChI=1S/C22H36O4Si/c1-17-15-19(13-14-24-16-18-11-9-8-10-12-18)25-21(23-5)20(17)26-27(6,7)22(2,3)4/h8-12,19-21H,1,13-16H2,2-7H3/t19-,20-,21?/m1/s1.
What are the key properties of tert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane has a molecular weight of 392.61 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 102400006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).