[(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane

C24H48O4Si2 — CID 102211182

IUPAC[(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
SMILESCC1=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O1
InChIInChI=1S/C24H48O4Si2/c1-16(2)29(17(3)4,18(5)6)27-20-14-19(7)26-21-15-25-30(23(8,9)10,24(11,12)13)28-22(20)21/h14,16-18,20-22H,15H2,1-13H3/t20-,21-,22+/m1/s1
InChIKeyUGKBVTDFCXNOSM-VSKRKVRLSA-N
MW456.82 g/mol
LogP7.31
Rot. Bonds5

About [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane

[(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane (PubChem CID 102211182) has the molecular formula C24H48O4Si2 and a molecular weight of 456.82 g/mol. Its IUPAC name is [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
PubChem CID102211182
Molecular FormulaC24H48O4Si2
Molecular Weight456.82 g/mol
Exact Mass456.31
IUPAC Name[(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
SMILESCC1=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O1
InChIInChI=1S/C24H48O4Si2/c1-16(2)29(17(3)4,18(5)6)27-20-14-19(7)26-21-15-25-30(23(8,9)10,24(11,12)13)28-22(20)21/h14,16-18,20-22H,15H2,1-13H3/t20-,21-,22+/m1/s1
InChIKeyUGKBVTDFCXNOSM-VSKRKVRLSA-N
XLogP7.31
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.82
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane with MolForge

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Launch Full Analysis

Related Compounds

Tri-O-(tert-butyldimethylsilyl)-D-glucal
CID 10648718
[(4aR,8R,8aR)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane
CID 134940111
[(4aR,8R,8aR)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
CID 10961214
[(4aR,8R,8aR)-2,2-ditert-butyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
CID 10941616
[(4aR,8R,8aR)-2,2-ditert-butyl-6-iodo-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
CID 11124630
[(4aR,8R,8aR)-2,2-ditert-butyl-6-[hydroxy(dimethyl)silyl]-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane
CID 16071211
[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 101106917
[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134930554
[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134930722
tert-butyl-[[(2R)-6-[[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]methyl]-4-methyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 134930747
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
[(3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 135022446

Frequently Asked Questions

What is the IUPAC name of [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane (CID 102211182) is [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane is CC1=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O1.
What is the InChIKey of [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is UGKBVTDFCXNOSM-VSKRKVRLSA-N. The full InChI is InChI=1S/C24H48O4Si2/c1-16(2)29(17(3)4,18(5)6)27-20-14-19(7)26-21-15-25-30(23(8,9)10,24(11,12)13)28-22(20)21/h14,16-18,20-22H,15H2,1-13H3/t20-,21-,22+/m1/s1.
What are the key properties of [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane?
[(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 456.82 g/mol, XLogP of 7.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8R,8aR)-2,2-ditert-butyl-6-methyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 102211182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).