[tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate

C30H58O7Si3 — CID 134931717

IUPAC[tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate
SMILESC=C(OC[C@@H]1C=C[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)[C@H](CC(=O)O[Si](C)(C)C(C)(C)C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H58O7Si3/c1-22(35-38(11,12)28(2,3)4)33-21-24-18-17-23(19-26(31)36-39(13,14)29(5,6)7)25(34-24)20-27(32)37-40(15,16)30(8,9)10/h17-18,23-25H,1,19-21H2,2-16H3/t23-,24-,25-/m0/s1
InChIKeyRENHQVKFLBMWMQ-SDHOMARFSA-N
MW615.05 g/mol
LogP8.31
Rot. Bonds11

About [tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate

[tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate (PubChem CID 134931717) has the molecular formula C30H58O7Si3 and a molecular weight of 615.05 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate
PubChem CID134931717
Molecular FormulaC30H58O7Si3
Molecular Weight615.05 g/mol
Exact Mass614.35
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate
SMILESC=C(OC[C@@H]1C=C[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)[C@H](CC(=O)O[Si](C)(C)C(C)(C)C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H58O7Si3/c1-22(35-38(11,12)28(2,3)4)33-21-24-18-17-23(19-26(31)36-39(13,14)29(5,6)7)25(34-24)20-27(32)37-40(15,16)30(8,9)10/h17-18,23-25H,1,19-21H2,2-16H3/t23-,24-,25-/m0/s1
InChIKeyRENHQVKFLBMWMQ-SDHOMARFSA-N
XLogP8.31
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.05
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate with MolForge

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Related Compounds

(4R,5S,6S)-6-[(Z,3S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-bis(methoxymethoxy)hept-1-enyl]-4-methoxy-5-(methoxymethoxy)oxan-2-one
CID 101889701
ethyl (1S)-1-but-3-enoxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 134840172
ethyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,10-dioxaspiro[4.5]dec-6-ene-4-carboxylate
CID 134840176
[tert-butyl(dimethyl)silyl] 2-[(2S,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl]acetate
CID 134930555
[tert-butyl(dimethyl)silyl] 2-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate
CID 134931472
[tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-6-methyl-3,6-dihydro-2H-pyran-3-yl]acetate
CID 134931795
4-[Tert-butyl(dimethyl)silyl]oxy-5-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one
CID 54522239
[(3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-yl] (1S,2R)-2-methoxycyclohex-3-ene-1-carboxylate
CID 10072878
methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]propanoate
CID 10915230
methyl 2-[(2R,3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethoxyethyl)-3,6-dihydro-2H-pyran-3-yl]propanoate
CID 11112197
methyl (1R,2R)-2-[(E)-1-[tert-butyl(dimethyl)silyl]oxyprop-1-enoxy]cyclohex-3-ene-1-carboxylate
CID 177437951
diethyl (1S,2R,3R)-3-[(E)-1-[tert-butyl(dimethyl)silyl]oxyprop-1-enoxy]cyclohex-4-ene-1,2-dicarboxylate
CID 177462555

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate (CID 134931717) is [tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate is C=C(OC[C@@H]1C=C[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)[C@H](CC(=O)O[Si](C)(C)C(C)(C)C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate?
The InChIKey is RENHQVKFLBMWMQ-SDHOMARFSA-N. The full InChI is InChI=1S/C30H58O7Si3/c1-22(35-38(11,12)28(2,3)4)33-21-24-18-17-23(19-26(31)36-39(13,14)29(5,6)7)25(34-24)20-27(32)37-40(15,16)30(8,9)10/h17-18,23-25H,1,19-21H2,2-16H3/t23-,24-,25-/m0/s1.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate?
[tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate has a molecular weight of 615.05 g/mol, XLogP of 8.31, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-2-[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]acetate is sourced from PubChem (CID 134931717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).