tert-butyl-[[3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]buta-1,3-diynyl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane

C24H42O4Si2 — CID 25224031

IUPACtert-butyl-[[3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]buta-1,3-diynyl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane
SMILESCC1(C#CC#CC2(C)OC2CO[Si](C)(C)C(C)(C)C)OC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42O4Si2/c1-21(2,3)29(9,10)25-17-19-23(7,27-19)15-13-14-16-24(8)20(28-24)18-26-30(11,12)22(4,5)6/h19-20H,17-18H2,1-12H3
InChIKeyZEDVTVHDEYYHJX-UHFFFAOYSA-N
MW450.77 g/mol
LogP5.35
Rot. Bonds6

About tert-butyl-[[3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]buta-1,3-diynyl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane

tert-butyl-[[3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]buta-1,3-diynyl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane (PubChem CID 25224031) has the molecular formula C24H42O4Si2 and a molecular weight of 450.77 g/mol. Its IUPAC name is tert-butyl-[[3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]buta-1,3-diynyl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]buta-1,3-diynyl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane
PubChem CID25224031
Molecular FormulaC24H42O4Si2
Molecular Weight450.77 g/mol
Exact Mass450.26
IUPAC Nametert-butyl-[[3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]buta-1,3-diynyl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane
SMILESCC1(C#CC#CC2(C)OC2CO[Si](C)(C)C(C)(C)C)OC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42O4Si2/c1-21(2,3)29(9,10)25-17-19-23(7,27-19)15-13-14-16-24(8)20(28-24)18-26-30(11,12)22(4,5)6/h19-20H,17-18H2,1-12H3
InChIKeyZEDVTVHDEYYHJX-UHFFFAOYSA-N
XLogP5.35
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.77
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-1-phenylprop-2-yn-1-ol
CID 101213440
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tert-butyl-[[(4S,5R)-2,2-dimethyl-5-non-2-ynyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11089942
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 14283028
2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138967635
tert-butyl-[[(4S,6S)-6-butyl-2,2-dimethyl-1,3-dioxan-4-yl]methoxy]-dimethylsilane
CID 101195176
tert-butyl-[[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 53360059
trans-(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropan-1-amine
CID 15042667
tert-butyl-[[(6R)-2,2-dimethyl-4-methylidene-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-dimethylsilane
CID 135045767
tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 14494226
[(3aR,4Z,6R,6aR)-4-(1-fluoroethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
CID 71614460
(3aS,4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 71314364

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]buta-1,3-diynyl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]buta-1,3-diynyl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane (CID 25224031) is tert-butyl-[[3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]buta-1,3-diynyl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]buta-1,3-diynyl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]buta-1,3-diynyl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane is CC1(C#CC#CC2(C)OC2CO[Si](C)(C)C(C)(C)C)OC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]buta-1,3-diynyl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane?
The InChIKey is ZEDVTVHDEYYHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O4Si2/c1-21(2,3)29(9,10)25-17-19-23(7,27-19)15-13-14-16-24(8)20(28-24)18-26-30(11,12)22(4,5)6/h19-20H,17-18H2,1-12H3.
What are the key properties of tert-butyl-[[3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]buta-1,3-diynyl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]buta-1,3-diynyl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane has a molecular weight of 450.77 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]buta-1,3-diynyl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 25224031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).