[(2R,3S,4R,6R)-6-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-methylideneoxan-2-yl]methoxy-tert-butyl-dimethylsilane

C30H58O9Si2 — CID 11006634

IUPAC[(2R,3S,4R,6R)-6-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-methylideneoxan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCOC)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1C[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C30H58O9Si2/c1-19-20(16-21-25-26(27(32-11)36-21)38-30(8,9)37-25)35-22(17-34-40(12,13)28(2,3)4)24(33-18-31-10)23(19)39-41(14,15)29(5,6)7/h20-27H,1,16-18H2,2-15H3/t20-,21-,22-,23-,24+,25-,26-,27-/m1/s1
InChIKeyABMPZDIJVJCSRS-WVARWUBASA-N
MW618.96 g/mol
LogP5.99
Rot. Bonds11

About [(2R,3S,4R,6R)-6-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-methylideneoxan-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3S,4R,6R)-6-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-methylideneoxan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 11006634) has the molecular formula C30H58O9Si2 and a molecular weight of 618.96 g/mol. Its IUPAC name is [(2R,3S,4R,6R)-6-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-methylideneoxan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S,4R,6R)-6-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-methylideneoxan-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID11006634
Molecular FormulaC30H58O9Si2
Molecular Weight618.96 g/mol
Exact Mass618.36
IUPAC Name[(2R,3S,4R,6R)-6-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-methylideneoxan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCOC)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1C[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C30H58O9Si2/c1-19-20(16-21-25-26(27(32-11)36-21)38-30(8,9)37-25)35-22(17-34-40(12,13)28(2,3)4)24(33-18-31-10)23(19)39-41(14,15)29(5,6)7/h20-27H,1,16-18H2,2-15H3/t20-,21-,22-,23-,24+,25-,26-,27-/m1/s1
InChIKeyABMPZDIJVJCSRS-WVARWUBASA-N
XLogP5.99
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.96
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze [(2R,3S,4R,6R)-6-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-methylideneoxan-2-yl]methoxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

[(3aR,4R,6R,6aS)-2,2-dimethyl-6-(2-methylprop-2-enyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane
CID 134931288
[(3aR,4R,6S,6aS)-2,2-dimethyl-6-(2-methylprop-2-enyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane
CID 134931378
[(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane
CID 134973116
(3aR,5R,6S)-5-(2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 135011321
(3aR,5R,6S)-5-[(4S)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 135011331
(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 135012622
(6aR,9aS)-8-methoxy-9-methylidene-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 69925358
tert-butyl-dimethyl-[[(2S,4S,5R,6S)-4,5,6-trimethoxy-3-methylideneoxan-2-yl]methoxy]silane
CID 69944761
5-(2,2-Dimethyl-1,3-dioxan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
CID 90781885
(2R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 9982889
[(2R,3S,4R,6R)-6-[[(3aR,6S,6aR)-6-acetyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-4-acetyloxy-3-(methoxymethoxy)-5-methylideneoxan-2-yl]methyl acetate
CID 10391351
[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S,3S)-2-[dimethyl(pentadec-1-en-2-yl)silyl]oxy-3-(methoxymethoxy)pent-4-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 10724807

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,6R)-6-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-methylideneoxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S,4R,6R)-6-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-methylideneoxan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 11006634) is [(2R,3S,4R,6R)-6-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-methylideneoxan-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S,4R,6R)-6-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-methylideneoxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S,4R,6R)-6-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-methylideneoxan-2-yl]methoxy-tert-butyl-dimethylsilane is C=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCOC)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1C[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of [(2R,3S,4R,6R)-6-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-methylideneoxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is ABMPZDIJVJCSRS-WVARWUBASA-N. The full InChI is InChI=1S/C30H58O9Si2/c1-19-20(16-21-25-26(27(32-11)36-21)38-30(8,9)37-25)35-22(17-34-40(12,13)28(2,3)4)24(33-18-31-10)23(19)39-41(14,15)29(5,6)7/h20-27H,1,16-18H2,2-15H3/t20-,21-,22-,23-,24+,25-,26-,27-/m1/s1.
What are the key properties of [(2R,3S,4R,6R)-6-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-methylideneoxan-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3S,4R,6R)-6-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-methylideneoxan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 618.96 g/mol, XLogP of 5.99, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,6R)-6-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-methylideneoxan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11006634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).