(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-ethenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol

C16H30O4Si — CID 11370453

IUPAC(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-ethenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
SMILESC=C[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]2C[C@H]1O
InChIInChI=1S/C16H30O4Si/c1-8-12-11(17)9-13-14(19-12)10-18-21(20-13,15(2,3)4)16(5,6)7/h8,11-14,17H,1,9-10H2,2-7H3/t11-,12+,13+,14-/m1/s1
InChIKeyTUGJDGZGCPKJPV-ZOBORPQBSA-N
MW314.50 g/mol
LogP3.15
Rot. Bonds1

About (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-ethenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol

(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-ethenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol (PubChem CID 11370453) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-ethenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol.

Molecular Properties

Compound Name(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-ethenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
PubChem CID11370453
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-ethenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol
SMILESC=C[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]2C[C@H]1O
InChIInChI=1S/C16H30O4Si/c1-8-12-11(17)9-13-14(19-12)10-18-21(20-13,15(2,3)4)16(5,6)7/h8,11-14,17H,1,9-10H2,2-7H3/t11-,12+,13+,14-/m1/s1
InChIKeyTUGJDGZGCPKJPV-ZOBORPQBSA-N
XLogP3.15
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-ethenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol with MolForge

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Related Compounds

[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol
CID 56593730
(2S,3S,4R,4aR,6S,8aS)-6-ethyl-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol
CID 58077778
(2S,4R,4aR,6S,8aS)-6-ethyl-2-[(E,1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol
CID 89798543
(2S,3S,4R,4aR,6S,8aS)-6-ethyl-2-[(1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol
CID 123402406
(2S,4R,4aR,6S,8aS)-6-ethyl-2-[(1S)-1-hydroxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,4-diol
CID 123414640
2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]ethanol
CID 140738623
2-[(3R,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]ethanol
CID 140830867
(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
CID 140857084
2-[(2S,3R,4S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]ethanol
CID 141667844
(4aR,6S,8aR)-6-[(2R)-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
CID 149171807
(4aR,6S,7S,8aR)-6-[(2R)-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
CID 158498590
(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
CID 161646927

Frequently Asked Questions

What is the IUPAC name of (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-ethenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol?
The IUPAC name of (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-ethenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol (CID 11370453) is (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-ethenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol.
What is the SMILES notation for (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-ethenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol?
The canonical SMILES for (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-ethenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol is C=C[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]2C[C@H]1O.
What is the InChIKey of (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-ethenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol?
The InChIKey is TUGJDGZGCPKJPV-ZOBORPQBSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-8-12-11(17)9-13-14(19-12)10-18-21(20-13,15(2,3)4)16(5,6)7/h8,11-14,17H,1,9-10H2,2-7H3/t11-,12+,13+,14-/m1/s1.
What are the key properties of (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-ethenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol?
(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-ethenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol has a molecular weight of 314.50 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6S,7R,8aS)-2,2-ditert-butyl-6-ethenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-ol is sourced from PubChem (CID 11370453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).