(4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-prop-2-enyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-ol

C24H48O5Si2 — CID 102211184

IUPAC(4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-prop-2-enyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-ol
SMILESC=CC[C@@]1(C)O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O
InChIInChI=1S/C24H48O5Si2/c1-14-15-24(11)20(25)19(28-30(12,13)21(2,3)4)18-17(27-24)16-26-31(29-18,22(5,6)7)23(8,9)10/h14,17-20,25H,1,15-16H2,2-13H3/t17-,18-,19+,20-,24-/m1/s1
InChIKeyQNWMJUFKHGLLGA-JAUHRSLLSA-N
MW472.82 g/mol
LogP5.93
Rot. Bonds4

About (4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-prop-2-enyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-ol

(4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-prop-2-enyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-ol (PubChem CID 102211184) has the molecular formula C24H48O5Si2 and a molecular weight of 472.82 g/mol. Its IUPAC name is (4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-prop-2-enyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-ol.

Molecular Properties

Compound Name(4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-prop-2-enyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-ol
PubChem CID102211184
Molecular FormulaC24H48O5Si2
Molecular Weight472.82 g/mol
Exact Mass472.30
IUPAC Name(4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-prop-2-enyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-ol
SMILESC=CC[C@@]1(C)O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O
InChIInChI=1S/C24H48O5Si2/c1-14-15-24(11)20(25)19(28-30(12,13)21(2,3)4)18-17(27-24)16-26-31(29-18,22(5,6)7)23(8,9)10/h14,17-20,25H,1,15-16H2,2-13H3/t17-,18-,19+,20-,24-/m1/s1
InChIKeyQNWMJUFKHGLLGA-JAUHRSLLSA-N
XLogP5.93
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.82
LogP ≤ 55.93
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 (4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-prop-2-enyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-prop-2-enyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-ol?
The IUPAC name of (4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-prop-2-enyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-ol (CID 102211184) is (4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-prop-2-enyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-ol.
What is the SMILES notation for (4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-prop-2-enyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-ol?
The canonical SMILES for (4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-prop-2-enyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-ol is C=CC[C@@]1(C)O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O.
What is the InChIKey of (4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-prop-2-enyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-ol?
The InChIKey is QNWMJUFKHGLLGA-JAUHRSLLSA-N. The full InChI is InChI=1S/C24H48O5Si2/c1-14-15-24(11)20(25)19(28-30(12,13)21(2,3)4)18-17(27-24)16-26-31(29-18,22(5,6)7)23(8,9)10/h14,17-20,25H,1,15-16H2,2-13H3/t17-,18-,19+,20-,24-/m1/s1.
What are the key properties of (4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-prop-2-enyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-ol?
(4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-prop-2-enyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-ol has a molecular weight of 472.82 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6R,7R,8R,8aR)-2,2-ditert-butyl-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-prop-2-enyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-7-ol is sourced from PubChem (CID 102211184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).