(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol;[(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane;(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol;[(2S,3S,5R,6R)-2-[(2S)-but-3-en-2-yl]-6-ethyl-5-methyloxan-3-yl]oxy-tert-butyl-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pentan-2-yl]oxan-3-yl]oxy-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pent-4-en-2-yl]oxan-3-yl]oxy-dimethylsilane

C114H228O18Si7 — CID 160725416

IUPAC(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol;[(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane;(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol;[(2S,3S,5R,6R)-2-[(2S)-but-3-en-2-yl]-6-ethyl-5-methyloxan-3-yl]oxy-tert-butyl-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pentan-2-yl]oxan-3-yl]oxy-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pent-4-en-2-yl]oxan-3-yl]oxy-dimethylsilane
SMILESC=CC[C@H](C)[C@@H]1O[C@H](CC)[C@H](C)C[C@@H]1O[Si](C)(C)C(C)(C)C.C=C[C@H](C)[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]2C[C@@H]1O.C=C[C@H](C)[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]2C[C@@H]1O[Si](C)(C)C(C)(C)C.C=C[C@H](C)[C@@H]1O[C@H](CC)[C@H](C)C[C@@H]1O[Si](C)(C)C(C)(C)C.C=C[C@H](C)[C@@H]1O[C@H](CO)[C@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C.CCC[C@H](C)[C@@H]1O[C@H](CC)[C@H](C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O4Si2.C19H40O2Si.C19H38O2Si.C18H34O4Si.C18H36O2Si.C16H32O4Si/c1-14-17(2)21-19(27-29(12,13)22(3,4)5)15-18-20(26-21)16-25-30(28-18,23(6,7)8)24(9,10)11;2*1-10-12-14(3)18-17(13-15(4)16(11-2)20-18)21-22(8,9)19(5,6)7;1-9-12(2)16-13(19)10-14-15(21-16)11-20-23(22-14,17(3,4)5)18(6,7)8;1-10-13(3)17-16(12-14(4)15(11-2)19-17)20-21(8,9)18(5,6)7;1-8-11(2)15-13(9-12(18)14(10-17)19-15)20-21(6,7)16(3,4)5/h14,17-21H,1,15-16H2,2-13H3;14-18H,10-13H2,1-9H3;10,14-18H,1,11-13H2,2-9H3;9,12-16,19H,1,10-11H2,2-8H3;10,13-17H,1,11-12H2,2-9H3;8,11-15,17-18H,1,9-10H2,2-7H3/t17-,18+,19-,20+,21-;2*14-,15+,16+,17-,18-;12-,13-,14+,15+,16-;13-,14+,15+,16-,17-;11-,12+,13-,14+,15-/m000000/s1
InChIKeyRTQJZYUBIWSWGF-VUGHCKCASA-N
MW2083.66 g/mol
LogP30.52
Rot. Bonds28

About (4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol;[(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane;(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol;[(2S,3S,5R,6R)-2-[(2S)-but-3-en-2-yl]-6-ethyl-5-methyloxan-3-yl]oxy-tert-butyl-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pentan-2-yl]oxan-3-yl]oxy-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pent-4-en-2-yl]oxan-3-yl]oxy-dimethylsilane

(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol;[(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane;(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol;[(2S,3S,5R,6R)-2-[(2S)-but-3-en-2-yl]-6-ethyl-5-methyloxan-3-yl]oxy-tert-butyl-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pentan-2-yl]oxan-3-yl]oxy-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pent-4-en-2-yl]oxan-3-yl]oxy-dimethylsilane (PubChem CID 160725416) has the molecular formula C114H228O18Si7 and a molecular weight of 2083.66 g/mol. Its IUPAC name is (4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol;[(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane;(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol;[(2S,3S,5R,6R)-2-[(2S)-but-3-en-2-yl]-6-ethyl-5-methyloxan-3-yl]oxy-tert-butyl-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pentan-2-yl]oxan-3-yl]oxy-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pent-4-en-2-yl]oxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Name(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol;[(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane;(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol;[(2S,3S,5R,6R)-2-[(2S)-but-3-en-2-yl]-6-ethyl-5-methyloxan-3-yl]oxy-tert-butyl-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pentan-2-yl]oxan-3-yl]oxy-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pent-4-en-2-yl]oxan-3-yl]oxy-dimethylsilane
PubChem CID160725416
Molecular FormulaC114H228O18Si7
Molecular Weight2083.66 g/mol
Exact Mass2081.53
IUPAC Name(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol;[(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane;(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol;[(2S,3S,5R,6R)-2-[(2S)-but-3-en-2-yl]-6-ethyl-5-methyloxan-3-yl]oxy-tert-butyl-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pentan-2-yl]oxan-3-yl]oxy-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pent-4-en-2-yl]oxan-3-yl]oxy-dimethylsilane
SMILESC=CC[C@H](C)[C@@H]1O[C@H](CC)[C@H](C)C[C@@H]1O[Si](C)(C)C(C)(C)C.C=C[C@H](C)[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]2C[C@@H]1O.C=C[C@H](C)[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]2C[C@@H]1O[Si](C)(C)C(C)(C)C.C=C[C@H](C)[C@@H]1O[C@H](CC)[C@H](C)C[C@@H]1O[Si](C)(C)C(C)(C)C.C=C[C@H](C)[C@@H]1O[C@H](CO)[C@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C.CCC[C@H](C)[C@@H]1O[C@H](CC)[C@H](C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O4Si2.C19H40O2Si.C19H38O2Si.C18H34O4Si.C18H36O2Si.C16H32O4Si/c1-14-17(2)21-19(27-29(12,13)22(3,4)5)15-18-20(26-21)16-25-30(28-18,23(6,7)8)24(9,10)11;2*1-10-12-14(3)18-17(13-15(4)16(11-2)20-18)21-22(8,9)19(5,6)7;1-9-12(2)16-13(19)10-14-15(21-16)11-20-23(22-14,17(3,4)5)18(6,7)8;1-10-13(3)17-16(12-14(4)15(11-2)19-17)20-21(8,9)18(5,6)7;1-8-11(2)15-13(9-12(18)14(10-17)19-15)20-21(6,7)16(3,4)5/h14,17-21H,1,15-16H2,2-13H3;14-18H,10-13H2,1-9H3;10,14-18H,1,11-13H2,2-9H3;9,12-16,19H,1,10-11H2,2-8H3;10,13-17H,1,11-12H2,2-9H3;8,11-15,17-18H,1,9-10H2,2-7H3/t17-,18+,19-,20+,21-;2*14-,15+,16+,17-,18-;12-,13-,14+,15+,16-;13-,14+,15+,16-,17-;11-,12+,13-,14+,15-/m000000/s1
InChIKeyRTQJZYUBIWSWGF-VUGHCKCASA-N
XLogP30.52
TPSA199.14 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002083.66
LogP ≤ 530.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze (4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol;[(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane;(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol;[(2S,3S,5R,6R)-2-[(2S)-but-3-en-2-yl]-6-ethyl-5-methyloxan-3-yl]oxy-tert-butyl-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pentan-2-yl]oxan-3-yl]oxy-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pent-4-en-2-yl]oxan-3-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol;[(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane;(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol;[(2S,3S,5R,6R)-2-[(2S)-but-3-en-2-yl]-6-ethyl-5-methyloxan-3-yl]oxy-tert-butyl-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pentan-2-yl]oxan-3-yl]oxy-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pent-4-en-2-yl]oxan-3-yl]oxy-dimethylsilane?
The IUPAC name of (4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol;[(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane;(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol;[(2S,3S,5R,6R)-2-[(2S)-but-3-en-2-yl]-6-ethyl-5-methyloxan-3-yl]oxy-tert-butyl-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pentan-2-yl]oxan-3-yl]oxy-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pent-4-en-2-yl]oxan-3-yl]oxy-dimethylsilane (CID 160725416) is (4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol;[(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane;(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol;[(2S,3S,5R,6R)-2-[(2S)-but-3-en-2-yl]-6-ethyl-5-methyloxan-3-yl]oxy-tert-butyl-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pentan-2-yl]oxan-3-yl]oxy-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pent-4-en-2-yl]oxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for (4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol;[(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane;(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol;[(2S,3S,5R,6R)-2-[(2S)-but-3-en-2-yl]-6-ethyl-5-methyloxan-3-yl]oxy-tert-butyl-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pentan-2-yl]oxan-3-yl]oxy-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pent-4-en-2-yl]oxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for (4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol;[(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane;(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol;[(2S,3S,5R,6R)-2-[(2S)-but-3-en-2-yl]-6-ethyl-5-methyloxan-3-yl]oxy-tert-butyl-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pentan-2-yl]oxan-3-yl]oxy-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pent-4-en-2-yl]oxan-3-yl]oxy-dimethylsilane is C=CC[C@H](C)[C@@H]1O[C@H](CC)[C@H](C)C[C@@H]1O[Si](C)(C)C(C)(C)C.C=C[C@H](C)[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]2C[C@@H]1O.C=C[C@H](C)[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]2C[C@@H]1O[Si](C)(C)C(C)(C)C.C=C[C@H](C)[C@@H]1O[C@H](CC)[C@H](C)C[C@@H]1O[Si](C)(C)C(C)(C)C.C=C[C@H](C)[C@@H]1O[C@H](CO)[C@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C.CCC[C@H](C)[C@@H]1O[C@H](CC)[C@H](C)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol;[(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane;(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol;[(2S,3S,5R,6R)-2-[(2S)-but-3-en-2-yl]-6-ethyl-5-methyloxan-3-yl]oxy-tert-butyl-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pentan-2-yl]oxan-3-yl]oxy-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pent-4-en-2-yl]oxan-3-yl]oxy-dimethylsilane?
The InChIKey is RTQJZYUBIWSWGF-VUGHCKCASA-N. The full InChI is InChI=1S/C24H48O4Si2.C19H40O2Si.C19H38O2Si.C18H34O4Si.C18H36O2Si.C16H32O4Si/c1-14-17(2)21-19(27-29(12,13)22(3,4)5)15-18-20(26-21)16-25-30(28-18,23(6,7)8)24(9,10)11;2*1-10-12-14(3)18-17(13-15(4)16(11-2)20-18)21-22(8,9)19(5,6)7;1-9-12(2)16-13(19)10-14-15(21-16)11-20-23(22-14,17(3,4)5)18(6,7)8;1-10-13(3)17-16(12-14(4)15(11-2)19-17)20-21(8,9)18(5,6)7;1-8-11(2)15-13(9-12(18)14(10-17)19-15)20-21(6,7)16(3,4)5/h14,17-21H,1,15-16H2,2-13H3;14-18H,10-13H2,1-9H3;10,14-18H,1,11-13H2,2-9H3;9,12-16,19H,1,10-11H2,2-8H3;10,13-17H,1,11-12H2,2-9H3;8,11-15,17-18H,1,9-10H2,2-7H3/t17-,18+,19-,20+,21-;2*14-,15+,16+,17-,18-;12-,13-,14+,15+,16-;13-,14+,15+,16-,17-;11-,12+,13-,14+,15-/m000000/s1.
What are the key properties of (4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol;[(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane;(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol;[(2S,3S,5R,6R)-2-[(2S)-but-3-en-2-yl]-6-ethyl-5-methyloxan-3-yl]oxy-tert-butyl-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pentan-2-yl]oxan-3-yl]oxy-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pent-4-en-2-yl]oxan-3-yl]oxy-dimethylsilane?
(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol;[(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane;(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol;[(2S,3S,5R,6R)-2-[(2S)-but-3-en-2-yl]-6-ethyl-5-methyloxan-3-yl]oxy-tert-butyl-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pentan-2-yl]oxan-3-yl]oxy-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pent-4-en-2-yl]oxan-3-yl]oxy-dimethylsilane has a molecular weight of 2083.66 g/mol, XLogP of 30.52, 28 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol;[(4aR,6S,7S,8aR)-6-[(2S)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane;(2R,3R,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)oxan-3-ol;[(2S,3S,5R,6R)-2-[(2S)-but-3-en-2-yl]-6-ethyl-5-methyloxan-3-yl]oxy-tert-butyl-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pentan-2-yl]oxan-3-yl]oxy-dimethylsilane;tert-butyl-[(2S,3S,5R,6R)-6-ethyl-5-methyl-2-[(2S)-pent-4-en-2-yl]oxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 160725416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).