tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl]oxy-dimethylsilane

C20H42O3Si2 — CID 176718331

IUPACtert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl]oxy-dimethylsilane
SMILESC=CCC1(CO[Si](C)(C)C(C)(C)C)OCCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si2/c1-12-14-20(16-22-24(8,9)18(2,3)4)17(13-15-21-20)23-25(10,11)19(5,6)7/h12,17H,1,13-16H2,2-11H3
InChIKeyKLIIBTRTIMAWMF-UHFFFAOYSA-N
MW386.73 g/mol
LogP6.13
Rot. Bonds7

About tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl]oxy-dimethylsilane

tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl]oxy-dimethylsilane (PubChem CID 176718331) has the molecular formula C20H42O3Si2 and a molecular weight of 386.73 g/mol. Its IUPAC name is tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl]oxy-dimethylsilane
PubChem CID176718331
Molecular FormulaC20H42O3Si2
Molecular Weight386.73 g/mol
Exact Mass386.27
IUPAC Nametert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl]oxy-dimethylsilane
SMILESC=CCC1(CO[Si](C)(C)C(C)(C)C)OCCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O3Si2/c1-12-14-20(16-22-24(8,9)18(2,3)4)17(13-15-21-20)23-25(10,11)19(5,6)7/h12,17H,1,13-16H2,2-11H3
InChIKeyKLIIBTRTIMAWMF-UHFFFAOYSA-N
XLogP6.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.73
LogP ≤ 56.13
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'}

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Related Compounds

tert-butyl-dimethyl-[(3S,5R)-5-prop-2-enyloxolan-3-yl]oxysilane
CID 101748377
tert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane
CID 134996026
CID 89222911
CID 89222911
[(2R,3R)-1-butoxy-3-methoxy-3-methylhept-6-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 89737080
tert-butyl-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane
CID 175638923
(6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 177166542
(2S,3S,4R)-2-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol
CID 10782685
[(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 10949975
[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 11027689
tert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-pent-4-enyl-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane
CID 11048463
tert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(prop-2-enyl)oxolan-3-yl]oxy-dimethylsilane
CID 11080147
[(2S,3R,4R,5R)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 11761729

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl]oxy-dimethylsilane (CID 176718331) is tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl]oxy-dimethylsilane is C=CCC1(CO[Si](C)(C)C(C)(C)C)OCCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl]oxy-dimethylsilane?
The InChIKey is KLIIBTRTIMAWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O3Si2/c1-12-14-20(16-22-24(8,9)18(2,3)4)17(13-15-21-20)23-25(10,11)19(5,6)7/h12,17H,1,13-16H2,2-11H3.
What are the key properties of tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl]oxy-dimethylsilane?
tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl]oxy-dimethylsilane has a molecular weight of 386.73 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 176718331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).