[(3aS,4R,6S,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-6-(methoxymethoxymethyl)-2,2-dimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane

C26H52O7Si2 — CID 132919255

IUPAC[(3aS,4R,6S,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-6-(methoxymethoxymethyl)-2,2-dimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C[C@H]1O[C@@](COCOC)(CO[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@]21CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H52O7Si2/c1-15-20-26(18-30-35(13,14)23(5,6)7)21(32-24(8,9)33-26)25(31-20,16-28-19-27-10)17-29-34(11,12)22(2,3)4/h15,20-21H,1,16-19H2,2-14H3/t20-,21-,25+,26+/m1/s1
InChIKeyWRUWXUVYQCFEOT-VCPRHENPSA-N
MW532.87 g/mol
LogP5.86
Rot. Bonds11

About [(3aS,4R,6S,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-6-(methoxymethoxymethyl)-2,2-dimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane

[(3aS,4R,6S,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-6-(methoxymethoxymethyl)-2,2-dimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 132919255) has the molecular formula C26H52O7Si2 and a molecular weight of 532.87 g/mol. Its IUPAC name is [(3aS,4R,6S,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-6-(methoxymethoxymethyl)-2,2-dimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,4R,6S,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-6-(methoxymethoxymethyl)-2,2-dimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID132919255
Molecular FormulaC26H52O7Si2
Molecular Weight532.87 g/mol
Exact Mass532.33
IUPAC Name[(3aS,4R,6S,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-6-(methoxymethoxymethyl)-2,2-dimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C[C@H]1O[C@@](COCOC)(CO[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@]21CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H52O7Si2/c1-15-20-26(18-30-35(13,14)23(5,6)7)21(32-24(8,9)33-26)25(31-20,16-28-19-27-10)17-29-34(11,12)22(2,3)4/h15,20-21H,1,16-19H2,2-14H3/t20-,21-,25+,26+/m1/s1
InChIKeyWRUWXUVYQCFEOT-VCPRHENPSA-N
XLogP5.86
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.87
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3aS,4R,6S,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-6-(methoxymethoxymethyl)-2,2-dimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,4R,6S,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-6-(methoxymethoxymethyl)-2,2-dimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane (CID 132919255) is [(3aS,4R,6S,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-6-(methoxymethoxymethyl)-2,2-dimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,4R,6S,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-6-(methoxymethoxymethyl)-2,2-dimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,4R,6S,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-6-(methoxymethoxymethyl)-2,2-dimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane is C=C[C@H]1O[C@@](COCOC)(CO[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@]21CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3aS,4R,6S,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-6-(methoxymethoxymethyl)-2,2-dimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is WRUWXUVYQCFEOT-VCPRHENPSA-N. The full InChI is InChI=1S/C26H52O7Si2/c1-15-20-26(18-30-35(13,14)23(5,6)7)21(32-24(8,9)33-26)25(31-20,16-28-19-27-10)17-29-34(11,12)22(2,3)4/h15,20-21H,1,16-19H2,2-14H3/t20-,21-,25+,26+/m1/s1.
What are the key properties of [(3aS,4R,6S,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-6-(methoxymethoxymethyl)-2,2-dimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
[(3aS,4R,6S,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-6-(methoxymethoxymethyl)-2,2-dimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 532.87 g/mol, XLogP of 5.86, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4R,6S,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-6-(methoxymethoxymethyl)-2,2-dimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 132919255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).