tert-butyl-dimethyl-[[(2S)-5-prop-2-enyl-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane

C34H42O3Si — CID 72543849

IUPACtert-butyl-dimethyl-[[(2S)-5-prop-2-enyl-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane
SMILESC=CCC1=C(O[Si](C)(C)C(C)(C)C)C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1
InChIInChI=1S/C34H42O3Si/c1-7-17-27-25-35-31(24-32(27)37-38(5,6)33(2,3)4)26-36-34(28-18-11-8-12-19-28,29-20-13-9-14-21-29)30-22-15-10-16-23-30/h7-16,18-23,31H,1,17,24-26H2,2-6H3/t31-/m0/s1
InChIKeySEEFSMIADQDWAX-HKBQPEDESA-N
MW526.79 g/mol
LogP8.64
Rot. Bonds10

About tert-butyl-dimethyl-[[(2S)-5-prop-2-enyl-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane

tert-butyl-dimethyl-[[(2S)-5-prop-2-enyl-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane (PubChem CID 72543849) has the molecular formula C34H42O3Si and a molecular weight of 526.79 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S)-5-prop-2-enyl-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2S)-5-prop-2-enyl-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane
PubChem CID72543849
Molecular FormulaC34H42O3Si
Molecular Weight526.79 g/mol
Exact Mass526.29
IUPAC Nametert-butyl-dimethyl-[[(2S)-5-prop-2-enyl-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane
SMILESC=CCC1=C(O[Si](C)(C)C(C)(C)C)C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1
InChIInChI=1S/C34H42O3Si/c1-7-17-27-25-35-31(24-32(27)37-38(5,6)33(2,3)4)26-36-34(28-18-11-8-12-19-28,29-20-13-9-14-21-29)30-22-15-10-16-23-30/h7-16,18-23,31H,1,17,24-26H2,2-6H3/t31-/m0/s1
InChIKeySEEFSMIADQDWAX-HKBQPEDESA-N
XLogP8.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.79
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol
CID 101470588
(1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol
CID 11285204
(1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol
CID 46928266
2-[2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylcyclopent-2-en-1-yl]-1-phenylethanone
CID 132594355
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
[[(1R,2S)-2-[(1S,2S)-2-ethenylcyclopropyl]cyclopropyl]methoxy-diphenylmethyl]benzene
CID 101368856
[[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene
CID 178116138
4-(trityloxymethyl)trioxolane
CID 19758940
(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol
CID 101051182
acetonitrile;(5S)-2,3-dimethyl-5-(trityloxymethyl)oxolane;propane-2,2-diol
CID 143157543
(3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,4-diol
CID 69329004
tert-butyl-dimethyl-(6-trityloxyhexoxy)silane
CID 16753413

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2S)-5-prop-2-enyl-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S)-5-prop-2-enyl-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane (CID 72543849) is tert-butyl-dimethyl-[[(2S)-5-prop-2-enyl-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S)-5-prop-2-enyl-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S)-5-prop-2-enyl-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane is C=CCC1=C(O[Si](C)(C)C(C)(C)C)C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1.
What is the InChIKey of tert-butyl-dimethyl-[[(2S)-5-prop-2-enyl-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane?
The InChIKey is SEEFSMIADQDWAX-HKBQPEDESA-N. The full InChI is InChI=1S/C34H42O3Si/c1-7-17-27-25-35-31(24-32(27)37-38(5,6)33(2,3)4)26-36-34(28-18-11-8-12-19-28,29-20-13-9-14-21-29)30-22-15-10-16-23-30/h7-16,18-23,31H,1,17,24-26H2,2-6H3/t31-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2S)-5-prop-2-enyl-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane?
tert-butyl-dimethyl-[[(2S)-5-prop-2-enyl-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane has a molecular weight of 526.79 g/mol, XLogP of 8.64, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2S)-5-prop-2-enyl-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane is sourced from PubChem (CID 72543849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).