(1R,2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-ol

C23H44O4Si2 — CID 101083262

IUPAC(1R,2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-ol
SMILESCC(C)=C[C@@H](O[Si](C)(C)C(C)(C)C)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[C@@H]2[C@@H]1O
InChIInChI=1S/C23H44O4Si2/c1-15(2)13-17(26-28(9,10)22(3,4)5)16-14-18(20-21(25-20)19(16)24)27-29(11,12)23(6,7)8/h13-14,17-21,24H,1-12H3/t17-,18-,19-,20+,21-/m1/s1
InChIKeyXNADWZNRCMYUMI-SSSFQFABSA-N
MW440.77 g/mol
LogP5.80
Rot. Bonds6

About (1R,2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-ol

(1R,2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-ol (PubChem CID 101083262) has the molecular formula C23H44O4Si2 and a molecular weight of 440.77 g/mol. Its IUPAC name is (1R,2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-ol.

Molecular Properties

Compound Name(1R,2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-ol
PubChem CID101083262
Molecular FormulaC23H44O4Si2
Molecular Weight440.77 g/mol
Exact Mass440.28
IUPAC Name(1R,2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-ol
SMILESCC(C)=C[C@@H](O[Si](C)(C)C(C)(C)C)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[C@@H]2[C@@H]1O
InChIInChI=1S/C23H44O4Si2/c1-15(2)13-17(26-28(9,10)22(3,4)5)16-14-18(20-21(25-20)19(16)24)27-29(11,12)23(6,7)8/h13-14,17-21,24H,1-12H3/t17-,18-,19-,20+,21-/m1/s1
InChIKeyXNADWZNRCMYUMI-SSSFQFABSA-N
XLogP5.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.77
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-ol with MolForge

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Related Compounds

(1R,2S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol
CID 101334341
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
(1S,2R,3R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(1-hydroxy-3-methylbut-2-enyl)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 11336424
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
(1R,5R,6S)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 10543628
[(1'R,2'S,6'S)-4'-bromospiro[1,3-dioxane-2,5'-7-oxabicyclo[4.1.0]hept-3-ene]-2'-yl]oxy-tert-butyl-dimethylsilane
CID 11222641
(1S,2S,5S,6S)-3-bromo-2,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-3-en-1-ol
CID 11060812
tert-butyl-[[(1S,2S,3S,5S)-2-methoxy-4-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]-dimethylsilane
CID 59796127
(1S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(3-methylbut-3-en-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 102093197
(1R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(3-methylbut-3-en-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 10590638
(3aS,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid
CID 58864889
[(1S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-en-2-yl] trifluoromethanesulfonate
CID 11728864

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-ol?
The IUPAC name of (1R,2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-ol (CID 101083262) is (1R,2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-ol.
What is the SMILES notation for (1R,2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-ol?
The canonical SMILES for (1R,2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-ol is CC(C)=C[C@@H](O[Si](C)(C)C(C)(C)C)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[C@@H]2[C@@H]1O.
What is the InChIKey of (1R,2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-ol?
The InChIKey is XNADWZNRCMYUMI-SSSFQFABSA-N. The full InChI is InChI=1S/C23H44O4Si2/c1-15(2)13-17(26-28(9,10)22(3,4)5)16-14-18(20-21(25-20)19(16)24)27-29(11,12)23(6,7)8/h13-14,17-21,24H,1-12H3/t17-,18-,19-,20+,21-/m1/s1.
What are the key properties of (1R,2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-ol?
(1R,2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-ol has a molecular weight of 440.77 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-ol is sourced from PubChem (CID 101083262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).