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

C30H58O7Si3 — CID 134882732

IUPAC[tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-3,6-dihydro-2H-pyran-6-yl]acetate
SMILESC=C(OC[C@H]1O[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C=C[C@@H]1OC(=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H58O7Si3/c1-22(35-38(12,13)28(3,4)5)32-21-26-25(33-23(2)36-39(14,15)29(6,7)8)19-18-24(34-26)20-27(31)37-40(16,17)30(9,10)11/h18-19,24-26H,1-2,20-21H2,3-17H3/t24-,25+,26-/m1/s1
InChIKeyPDLMEDZGXCMLTI-UODIDJSMSA-N
MW615.05 g/mol
LogP8.64
Rot. Bonds12

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

[tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-3,6-dihydro-2H-pyran-6-yl]acetate (PubChem CID 134882732) has the molecular formula C30H58O7Si3 and a molecular weight of 615.05 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-3,6-dihydro-2H-pyran-6-yl]acetate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-3,6-dihydro-2H-pyran-6-yl]acetate
PubChem CID134882732
Molecular FormulaC30H58O7Si3
Molecular Weight615.05 g/mol
Exact Mass614.35
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-3,6-dihydro-2H-pyran-6-yl]acetate
SMILESC=C(OC[C@H]1O[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C=C[C@@H]1OC(=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H58O7Si3/c1-22(35-38(12,13)28(3,4)5)32-21-26-25(33-23(2)36-39(14,15)29(6,7)8)19-18-24(34-26)20-27(31)37-40(16,17)30(9,10)11/h18-19,24-26H,1-2,20-21H2,3-17H3/t24-,25+,26-/m1/s1
InChIKeyPDLMEDZGXCMLTI-UODIDJSMSA-N
XLogP8.64
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.05
LogP ≤ 58.64
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'}

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Related Compounds

[tert-butyl(dimethyl)silyl] 2-[(2S,3R,6R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate
CID 134882842
[tert-butyl(dimethyl)silyl] 2-[(3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-3,6-dihydro-2H-pyran-6-yl]acetate
CID 134882930
[tert-butyl(dimethyl)silyl] 2-[(2S,3R,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate
CID 134882974
dimethyl (3R,6S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexa-1,4-diene-1,2-dicarboxylate
CID 21668237
[(2R,3R,6S)-3-triethylsilyloxy-2-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 101143423
Methyl 6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-methoxycyclohexa-2,4-diene-1-carboxylate
CID 175917440
methyl (E)-5-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate
CID 10570411
[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-prop-2-enoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 10854812
[(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] propanoate
CID 10871545
[(2R,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-triethylsilylethenyl]-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 11270268
[(2R,3S,6R,7S)-6-acetyloxy-2,7-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7-tetrahydrooxepin-3-yl] acetate
CID 11755802
[tert-butyl(dimethyl)silyl] 2-[(2R,6S)-2-methyl-3,6-dihydro-2H-pyran-6-yl]acetate
CID 11832485

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-3,6-dihydro-2H-pyran-6-yl]acetate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-3,6-dihydro-2H-pyran-6-yl]acetate (CID 134882732) is [tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-3,6-dihydro-2H-pyran-6-yl]acetate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-3,6-dihydro-2H-pyran-6-yl]acetate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-3,6-dihydro-2H-pyran-6-yl]acetate is C=C(OC[C@H]1O[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C=C[C@@H]1OC(=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-3,6-dihydro-2H-pyran-6-yl]acetate?
The InChIKey is PDLMEDZGXCMLTI-UODIDJSMSA-N. The full InChI is InChI=1S/C30H58O7Si3/c1-22(35-38(12,13)28(3,4)5)32-21-26-25(33-23(2)36-39(14,15)29(6,7)8)19-18-24(34-26)20-27(31)37-40(16,17)30(9,10)11/h18-19,24-26H,1-2,20-21H2,3-17H3/t24-,25+,26-/m1/s1.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-3,6-dihydro-2H-pyran-6-yl]acetate?
[tert-butyl(dimethyl)silyl] 2-[(2R,3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-3,6-dihydro-2H-pyran-6-yl]acetate has a molecular weight of 615.05 g/mol, XLogP of 8.64, 12 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-[(2R,3S,6S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethenoxy]-2-[1-[tert-butyl(dimethyl)silyl]oxyethenoxymethyl]-3,6-dihydro-2H-pyran-6-yl]acetate is sourced from PubChem (CID 134882732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).