tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane

C20H42O3Si2 — CID 56593729

IUPACtert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane
SMILESC=C[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H42O3Si2/c1-12-16-13-14-17(23-25(10,11)20(5,6)7)18(22-16)15-21-24(8,9)19(2,3)4/h12,16-18H,1,13-15H2,2-11H3/t16-,17-,18+/m0/s1
InChIKeyKCCFZEBUVFHWSN-OKZBNKHCSA-N
MW386.73 g/mol
LogP6.13
Rot. Bonds6

About tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane (PubChem CID 56593729) has the molecular formula C20H42O3Si2 and a molecular weight of 386.73 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane
PubChem CID56593729
Molecular FormulaC20H42O3Si2
Molecular Weight386.73 g/mol
Exact Mass386.27
IUPAC Nametert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane
SMILESC=C[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H42O3Si2/c1-12-16-13-14-17(23-25(10,11)20(5,6)7)18(22-16)15-21-24(8,9)19(2,3)4/h12,16-18H,1,13-15H2,2-11H3/t16-,17-,18+/m0/s1
InChIKeyKCCFZEBUVFHWSN-OKZBNKHCSA-N
XLogP6.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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'}

Analyze tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(2R,3R)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 12192985
tert-butyl-dimethyl-[(2R,3R)-2-(prop-2-enoxymethyl)oxan-3-yl]oxysilane
CID 16659016
tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane
CID 101185877
tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185879
tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 11096805
(4aR,8R,8aS)-2,2-ditert-butyl-8-non-1-en-2-yloxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
CID 11429790
tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane
CID 11515310
tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
CID 24808853
[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol
CID 56593730
tert-butyl-[(2R,3R,6S)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
CID 101545939
[(2S,4S,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 101556891
(4aR,8R,8aS)-2,2-ditert-butyl-8-heptadec-1-en-2-yloxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
CID 101724314

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane (CID 56593729) is tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane is C=C[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane?
The InChIKey is KCCFZEBUVFHWSN-OKZBNKHCSA-N. The full InChI is InChI=1S/C20H42O3Si2/c1-12-16-13-14-17(23-25(10,11)20(5,6)7)18(22-16)15-21-24(8,9)19(2,3)4/h12,16-18H,1,13-15H2,2-11H3/t16-,17-,18+/m0/s1.
What are the key properties of tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane has a molecular weight of 386.73 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 56593729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).