lithium [(4aR,8R,8aR)-2,2-ditert-butyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-6-id-8-yl]oxy-tri(propan-2-yl)silane

C23H45LiO4Si2 — CID 134940723

IUPAClithium [(4aR,8R,8aR)-2,2-ditert-butyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-6-id-8-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1C=[C-]O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]12)(C(C)C)C(C)C.[Li+]
InChIInChI=1S/C23H45O4Si2.Li/c1-16(2)28(17(3)4,18(5)6)26-19-13-14-24-20-15-25-29(22(7,8)9,23(10,11)12)27-21(19)20;/h13,16-21H,15H2,1-12H3;/q-1;+1/t19-,20-,21+;/m1./s1
InChIKeyBQJHIZOHDAXINK-ODYJERINSA-N
MW448.72 g/mol
LogP3.72
Rot. Bonds5

About lithium [(4aR,8R,8aR)-2,2-ditert-butyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-6-id-8-yl]oxy-tri(propan-2-yl)silane

lithium [(4aR,8R,8aR)-2,2-ditert-butyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-6-id-8-yl]oxy-tri(propan-2-yl)silane (PubChem CID 134940723) has the molecular formula C23H45LiO4Si2 and a molecular weight of 448.72 g/mol. Its IUPAC name is lithium [(4aR,8R,8aR)-2,2-ditert-butyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-6-id-8-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Namelithium [(4aR,8R,8aR)-2,2-ditert-butyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-6-id-8-yl]oxy-tri(propan-2-yl)silane
PubChem CID134940723
Molecular FormulaC23H45LiO4Si2
Molecular Weight448.72 g/mol
Exact Mass448.30
IUPAC Namelithium [(4aR,8R,8aR)-2,2-ditert-butyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-6-id-8-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1C=[C-]O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]12)(C(C)C)C(C)C.[Li+]
InChIInChI=1S/C23H45O4Si2.Li/c1-16(2)28(17(3)4,18(5)6)26-19-13-14-24-20-15-25-29(22(7,8)9,23(10,11)12)27-21(19)20;/h13,16-21H,15H2,1-12H3;/q-1;+1/t19-,20-,21+;/m1./s1
InChIKeyBQJHIZOHDAXINK-ODYJERINSA-N
XLogP3.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.72
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze lithium [(4aR,8R,8aR)-2,2-ditert-butyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-6-id-8-yl]oxy-tri(propan-2-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium [(4aR,8R,8aR)-2,2-ditert-butyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-6-id-8-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of lithium [(4aR,8R,8aR)-2,2-ditert-butyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-6-id-8-yl]oxy-tri(propan-2-yl)silane (CID 134940723) is lithium [(4aR,8R,8aR)-2,2-ditert-butyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-6-id-8-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for lithium [(4aR,8R,8aR)-2,2-ditert-butyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-6-id-8-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for lithium [(4aR,8R,8aR)-2,2-ditert-butyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-6-id-8-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@@H]1C=[C-]O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]12)(C(C)C)C(C)C.[Li+].
What is the InChIKey of lithium [(4aR,8R,8aR)-2,2-ditert-butyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-6-id-8-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is BQJHIZOHDAXINK-ODYJERINSA-N. The full InChI is InChI=1S/C23H45O4Si2.Li/c1-16(2)28(17(3)4,18(5)6)26-19-13-14-24-20-15-25-29(22(7,8)9,23(10,11)12)27-21(19)20;/h13,16-21H,15H2,1-12H3;/q-1;+1/t19-,20-,21+;/m1./s1.
What are the key properties of lithium [(4aR,8R,8aR)-2,2-ditert-butyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-6-id-8-yl]oxy-tri(propan-2-yl)silane?
lithium [(4aR,8R,8aR)-2,2-ditert-butyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-6-id-8-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 448.72 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(4aR,8R,8aR)-2,2-ditert-butyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-6-id-8-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134940723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).