tert-butyl-[[2-[(E)-3-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]oxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]methoxy]-dimethylsilane

C33H56N2O5Si2 — CID 11365551

IUPACtert-butyl-[[2-[(E)-3-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]oxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]methoxy]-dimethylsilane
SMILESC/C(=C\c1coc(C)n1)[C@@H]1O[C@H](C/C=C/c2nc(CO[Si](C)(C)C(C)(C)C)co2)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C33H56N2O5Si2/c1-22(18-26-19-36-25(4)34-26)30-24(3)31(40-42(13,14)33(8,9)10)23(2)28(39-30)16-15-17-29-35-27(20-37-29)21-38-41(11,12)32(5,6)7/h15,17-20,23-24,28,30-31H,16,21H2,1-14H3/b17-15+,22-18+/t23-,24-,28+,30-,31-/m0/s1
InChIKeyGFEPZCAQRJAFFW-WCJKIFDPSA-N
MW616.99 g/mol
LogP9.43
Rot. Bonds10

About tert-butyl-[[2-[(E)-3-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]oxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]methoxy]-dimethylsilane

tert-butyl-[[2-[(E)-3-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]oxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]methoxy]-dimethylsilane (PubChem CID 11365551) has the molecular formula C33H56N2O5Si2 and a molecular weight of 616.99 g/mol. Its IUPAC name is tert-butyl-[[2-[(E)-3-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]oxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-[(E)-3-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]oxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]methoxy]-dimethylsilane
PubChem CID11365551
Molecular FormulaC33H56N2O5Si2
Molecular Weight616.99 g/mol
Exact Mass616.37
IUPAC Nametert-butyl-[[2-[(E)-3-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]oxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]methoxy]-dimethylsilane
SMILESC/C(=C\c1coc(C)n1)[C@@H]1O[C@H](C/C=C/c2nc(CO[Si](C)(C)C(C)(C)C)co2)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C33H56N2O5Si2/c1-22(18-26-19-36-25(4)34-26)30-24(3)31(40-42(13,14)33(8,9)10)23(2)28(39-30)16-15-17-29-35-27(20-37-29)21-38-41(11,12)32(5,6)7/h15,17-20,23-24,28,30-31H,16,21H2,1-14H3/b17-15+,22-18+/t23-,24-,28+,30-,31-/m0/s1
InChIKeyGFEPZCAQRJAFFW-WCJKIFDPSA-N
XLogP9.43
TPSA79.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.99
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl-[[2-[(E)-3-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]oxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]methoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(2R,6R)-6-[[(2R,6R)-6-[2-[(E)-3-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]oxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]-4-oxooxan-2-yl]methyl]-4-methylideneoxan-2-yl]but-2-ynoate
CID 11262823
[(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
CID 44518856
2-[(2R,6R)-6-[[(2R,4R,6R)-6-[2-[(E)-3-[(2R,3S,4S,5R,6R)-6-[(E)-1-[2-[[(2R,4R,6R)-6-[(1R,2E,4E,6R,8E)-9-bromo-1-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-methylnona-2,4,8-trienyl]-4-methoxy-2-triethylsilyloxyoxan-2-yl]methyl]-1,3-oxazol-4-yl]prop-1-en-2-yl]-4-[(4-methoxyphenyl)methoxy]-3,5-dimethyloxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-4-methylideneoxan-2-yl]ethanol
CID 11389311
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(2-methyl-1,3-oxazol-4-yl)pent-4-en-1-ol
CID 67548470
[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methanol
CID 45277017
(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
CID 58292429
[(2R,3S,4S,5S,6R)-2-[(E)-1-[2-[[(2S,4R,6R)-6-[(1R,2E,4E,6R,8E)-9-bromo-1-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-3-methylnona-2,4,8-trienyl]-2,4-dimethoxyoxan-2-yl]methyl]-1,3-oxazol-4-yl]prop-1-en-2-yl]-6-[(E)-3-[4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6R)-4-methylidene-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]methyl]oxan-2-yl]-1,3-oxazol-2-yl]prop-2-enyl]-3,5-dimethyloxan-4-yl] 2-dimethoxyphosphorylacetate
CID 177397054
tert-butyl-dimethyl-[[2-(2-phenylethyl)-1,3-oxazol-4-yl]methoxy]silane
CID 10852985
(3S,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 91067670
(1S,3S,7S,10S,11R,12S,16S)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
CID 10719407
(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol
CID 101200293
4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2,3-diol
CID 20612986

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-[(E)-3-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]oxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-[(E)-3-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]oxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]methoxy]-dimethylsilane (CID 11365551) is tert-butyl-[[2-[(E)-3-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]oxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-[(E)-3-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]oxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-[(E)-3-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]oxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]methoxy]-dimethylsilane is C/C(=C\c1coc(C)n1)[C@@H]1O[C@H](C/C=C/c2nc(CO[Si](C)(C)C(C)(C)C)co2)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.
What is the InChIKey of tert-butyl-[[2-[(E)-3-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]oxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]methoxy]-dimethylsilane?
The InChIKey is GFEPZCAQRJAFFW-WCJKIFDPSA-N. The full InChI is InChI=1S/C33H56N2O5Si2/c1-22(18-26-19-36-25(4)34-26)30-24(3)31(40-42(13,14)33(8,9)10)23(2)28(39-30)16-15-17-29-35-27(20-37-29)21-38-41(11,12)32(5,6)7/h15,17-20,23-24,28,30-31H,16,21H2,1-14H3/b17-15+,22-18+/t23-,24-,28+,30-,31-/m0/s1.
What are the key properties of tert-butyl-[[2-[(E)-3-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]oxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[2-[(E)-3-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]oxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]methoxy]-dimethylsilane has a molecular weight of 616.99 g/mol, XLogP of 9.43, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-[(E)-3-[(2R,3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]oxan-2-yl]prop-1-enyl]-1,3-oxazol-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11365551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).