tert-butyl (2Z)-2-[(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetate

C36H76O7Si4 — CID 102592527

IUPACtert-butyl (2Z)-2-[(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetate
SMILESCC(C)(C)OC(=O)/C=C1\O[C@@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C36H76O7Si4/c1-32(2,3)40-28(37)24-26-30(42-46(20,21)35(10,11)12)31(43-47(22,23)36(13,14)15)29(39-26)27(41-45(18,19)34(7,8)9)25-38-44(16,17)33(4,5)6/h24,27,29-31H,25H2,1-23H3/b26-24-/t27-,29+,30+,31+/m1/s1
InChIKeyMZAJHAUYUDUPNH-BZXZHLMMSA-N
MW733.34 g/mol
LogP10.80
Rot. Bonds11

About tert-butyl (2Z)-2-[(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetate

tert-butyl (2Z)-2-[(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetate (PubChem CID 102592527) has the molecular formula C36H76O7Si4 and a molecular weight of 733.34 g/mol. Its IUPAC name is tert-butyl (2Z)-2-[(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetate.

Molecular Properties

Compound Nametert-butyl (2Z)-2-[(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetate
PubChem CID102592527
Molecular FormulaC36H76O7Si4
Molecular Weight733.34 g/mol
Exact Mass732.47
IUPAC Nametert-butyl (2Z)-2-[(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetate
SMILESCC(C)(C)OC(=O)/C=C1\O[C@@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C36H76O7Si4/c1-32(2,3)40-28(37)24-26-30(42-46(20,21)35(10,11)12)31(43-47(22,23)36(13,14)15)29(39-26)27(41-45(18,19)34(7,8)9)25-38-44(16,17)33(4,5)6/h24,27,29-31H,25H2,1-23H3/b26-24-/t27-,29+,30+,31+/m1/s1
InChIKeyMZAJHAUYUDUPNH-BZXZHLMMSA-N
XLogP10.80
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.34
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(E,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4,7-tris(triethylsilyloxy)hept-1-enyl]-2,3-dihydropyran-6-one
CID 49788386
[(E)-2-[(2R,3aR,7aR)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-yl]ethenyl] acetate
CID 60203814
[(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate
CID 134836941
(2Z)-2-[(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetaldehyde
CID 11158110
3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one
CID 11386171
(5E)-5-[[(2R,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methylidene]furan-2-one
CID 11775046
(2S)-2-[[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]oxolan-2-yl]methyl]-4-methyl-2,3-dihydropyran-6-one
CID 52951902
tert-butyl (E)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enoate
CID 101369327
tert-butyl (E)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enoate
CID 101369333
tert-butyl (2E,4E)-3,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]deca-2,4-dienoate
CID 101369340
(2R)-2-[[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]oxolan-2-yl]methyl]-4-methyl-2,3-dihydropyran-6-one
CID 101780146
ethyl (E)-3-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 102326250

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2Z)-2-[(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetate?
The IUPAC name of tert-butyl (2Z)-2-[(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetate (CID 102592527) is tert-butyl (2Z)-2-[(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetate.
What is the SMILES notation for tert-butyl (2Z)-2-[(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetate?
The canonical SMILES for tert-butyl (2Z)-2-[(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetate is CC(C)(C)OC(=O)/C=C1\O[C@@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2Z)-2-[(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetate?
The InChIKey is MZAJHAUYUDUPNH-BZXZHLMMSA-N. The full InChI is InChI=1S/C36H76O7Si4/c1-32(2,3)40-28(37)24-26-30(42-46(20,21)35(10,11)12)31(43-47(22,23)36(13,14)15)29(39-26)27(41-45(18,19)34(7,8)9)25-38-44(16,17)33(4,5)6/h24,27,29-31H,25H2,1-23H3/b26-24-/t27-,29+,30+,31+/m1/s1.
What are the key properties of tert-butyl (2Z)-2-[(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetate?
tert-butyl (2Z)-2-[(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetate has a molecular weight of 733.34 g/mol, XLogP of 10.80, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2Z)-2-[(3R,4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-ylidene]acetate is sourced from PubChem (CID 102592527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).