tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane

C23H42O4Si2 — CID 139670541

IUPACtert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(Oc2ccccc2)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O4Si2/c1-22(2,3)28(7,8)24-17-20-19(27-29(9,10)23(4,5)6)16-21(26-20)25-18-14-12-11-13-15-18/h11-15,19-21H,16-17H2,1-10H3/t19-,20+,21?/m0/s1
InChIKeyZJTWQORWMVEFJP-MCOCGALXSA-N
MW438.76 g/mol
LogP6.59
Rot. Bonds7

About tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane (PubChem CID 139670541) has the molecular formula C23H42O4Si2 and a molecular weight of 438.76 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane
PubChem CID139670541
Molecular FormulaC23H42O4Si2
Molecular Weight438.76 g/mol
Exact Mass438.26
IUPAC Nametert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(Oc2ccccc2)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O4Si2/c1-22(2,3)28(7,8)24-17-20-19(27-29(9,10)23(4,5)6)16-21(26-20)25-18-14-12-11-13-15-18/h11-15,19-21H,16-17H2,1-10H3/t19-,20+,21?/m0/s1
InChIKeyZJTWQORWMVEFJP-MCOCGALXSA-N
XLogP6.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.76
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2R,3S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(Z)-prop-1-enyl]oxolan-3-yl]oxy-diphenylsilane
CID 101161585
CID 101264549
CID 101264549
[(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 175776548
[(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 42643409
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[(2-methyl-1-phenylpropoxy)methyl]pyrimidine-2,4-dione
CID 67265881
tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[6-[2-(2-methylphenyl)ethynyl]purin-9-yl]oxolan-3-yl]oxy-dimethylsilane
CID 101463064
(2R,3R,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolane-3,4-diol
CID 54754367
[(1S,2R,3R,4R,6S)-3-(benzenesulfonyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]oxy-tert-butyl-dimethylsilane
CID 15161214
(2R,3S,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylmethoxyoxan-3-yl]oxy-2-methyloxan-4-ol
CID 24897800
N-[7-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]benzamide
CID 77234462
tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(4-chloropyrrolo[3,2-c]pyridin-1-yl)oxolan-2-yl]methoxy]-dimethylsilane
CID 140731389
[(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 177391057

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane (CID 139670541) is tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1OC(Oc2ccccc2)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane?
The InChIKey is ZJTWQORWMVEFJP-MCOCGALXSA-N. The full InChI is InChI=1S/C23H42O4Si2/c1-22(2,3)28(7,8)24-17-20-19(27-29(9,10)23(4,5)6)16-21(26-20)25-18-14-12-11-13-15-18/h11-15,19-21H,16-17H2,1-10H3/t19-,20+,21?/m0/s1.
What are the key properties of tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane has a molecular weight of 438.76 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 139670541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).