(2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,6-dimethyl-6-[(Z)-pent-3-enyl]-2,3,4,7,8,8a-hexahydropyrano[3,2-b]pyran-7-ol

C38H60O5Si2 — CID 51040136

IUPAC(2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,6-dimethyl-6-[(Z)-pent-3-enyl]-2,3,4,7,8,8a-hexahydropyrano[3,2-b]pyran-7-ol
SMILESC/C=C\CC[C@]1(C)O[C@]2(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@H]2C[C@H]1O
InChIInChI=1S/C38H60O5Si2/c1-12-13-20-25-37(8)33(39)26-34-38(9,43-37)27-31(42-44(10,11)35(2,3)4)32(41-34)28-40-45(36(5,6)7,29-21-16-14-17-22-29)30-23-18-15-19-24-30/h12-19,21-24,31-34,39H,20,25-28H2,1-11H3/b13-12-/t31-,32+,33+,34-,37-,38+/m0/s1
InChIKeySURUKEBPBOETCS-FGBNUWBPSA-N
MW653.07 g/mol
LogP7.77
Rot. Bonds10

About (2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,6-dimethyl-6-[(Z)-pent-3-enyl]-2,3,4,7,8,8a-hexahydropyrano[3,2-b]pyran-7-ol

(2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,6-dimethyl-6-[(Z)-pent-3-enyl]-2,3,4,7,8,8a-hexahydropyrano[3,2-b]pyran-7-ol (PubChem CID 51040136) has the molecular formula C38H60O5Si2 and a molecular weight of 653.07 g/mol. Its IUPAC name is (2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,6-dimethyl-6-[(Z)-pent-3-enyl]-2,3,4,7,8,8a-hexahydropyrano[3,2-b]pyran-7-ol.

Molecular Properties

Compound Name(2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,6-dimethyl-6-[(Z)-pent-3-enyl]-2,3,4,7,8,8a-hexahydropyrano[3,2-b]pyran-7-ol
PubChem CID51040136
Molecular FormulaC38H60O5Si2
Molecular Weight653.07 g/mol
Exact Mass652.40
IUPAC Name(2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,6-dimethyl-6-[(Z)-pent-3-enyl]-2,3,4,7,8,8a-hexahydropyrano[3,2-b]pyran-7-ol
SMILESC/C=C\CC[C@]1(C)O[C@]2(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@H]2C[C@H]1O
InChIInChI=1S/C38H60O5Si2/c1-12-13-20-25-37(8)33(39)26-34-38(9,43-37)27-31(42-44(10,11)35(2,3)4)32(41-34)28-40-45(36(5,6)7,29-21-16-14-17-22-29)30-23-18-15-19-24-30/h12-19,21-24,31-34,39H,20,25-28H2,1-11H3/b13-12-/t31-,32+,33+,34-,37-,38+/m0/s1
InChIKeySURUKEBPBOETCS-FGBNUWBPSA-N
XLogP7.77
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.07
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,6-dimethyl-6-[(Z)-pent-3-enyl]-2,3,4,7,8,8a-hexahydropyrano[3,2-b]pyran-7-ol with MolForge

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Related Compounds

tert-butyl-[(2R,3S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(Z)-prop-1-enyl]oxolan-3-yl]oxy-diphenylsilane
CID 101161585
(2R,3R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2-hydroxypropan-2-yloxy)oxolan-3-ol
CID 144948924
(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 101017191
(1R,4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 10571070
(2R,3S,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxy-2-phenylsulfanyloxan-3-ol
CID 134876225
tert-butyl-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 102304224
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 90339346
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 101223113
(1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol
CID 11452775
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl] benzoate
CID 171122774
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,6-dimethyl-6-[(Z)-pent-3-enyl]-2,3,4,7,8,8a-hexahydropyrano[3,2-b]pyran-7-ol?
The IUPAC name of (2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,6-dimethyl-6-[(Z)-pent-3-enyl]-2,3,4,7,8,8a-hexahydropyrano[3,2-b]pyran-7-ol (CID 51040136) is (2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,6-dimethyl-6-[(Z)-pent-3-enyl]-2,3,4,7,8,8a-hexahydropyrano[3,2-b]pyran-7-ol.
What is the SMILES notation for (2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,6-dimethyl-6-[(Z)-pent-3-enyl]-2,3,4,7,8,8a-hexahydropyrano[3,2-b]pyran-7-ol?
The canonical SMILES for (2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,6-dimethyl-6-[(Z)-pent-3-enyl]-2,3,4,7,8,8a-hexahydropyrano[3,2-b]pyran-7-ol is C/C=C\CC[C@]1(C)O[C@]2(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@H]2C[C@H]1O.
What is the InChIKey of (2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,6-dimethyl-6-[(Z)-pent-3-enyl]-2,3,4,7,8,8a-hexahydropyrano[3,2-b]pyran-7-ol?
The InChIKey is SURUKEBPBOETCS-FGBNUWBPSA-N. The full InChI is InChI=1S/C38H60O5Si2/c1-12-13-20-25-37(8)33(39)26-34-38(9,43-37)27-31(42-44(10,11)35(2,3)4)32(41-34)28-40-45(36(5,6)7,29-21-16-14-17-22-29)30-23-18-15-19-24-30/h12-19,21-24,31-34,39H,20,25-28H2,1-11H3/b13-12-/t31-,32+,33+,34-,37-,38+/m0/s1.
What are the key properties of (2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,6-dimethyl-6-[(Z)-pent-3-enyl]-2,3,4,7,8,8a-hexahydropyrano[3,2-b]pyran-7-ol?
(2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,6-dimethyl-6-[(Z)-pent-3-enyl]-2,3,4,7,8,8a-hexahydropyrano[3,2-b]pyran-7-ol has a molecular weight of 653.07 g/mol, XLogP of 7.77, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4aR,6S,7R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4a,6-dimethyl-6-[(Z)-pent-3-enyl]-2,3,4,7,8,8a-hexahydropyrano[3,2-b]pyran-7-ol is sourced from PubChem (CID 51040136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).