[(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

C35H72O4Si2Sn — CID 10941616

IUPAC[(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
SMILESCCCC[Sn](CCCC)(CCCC)C1=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/C23H45O4Si2.3C4H9.Sn/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;3*1-3-4-2;/h13,16-21H,15H2,1-12H3;3*1,3-4H2,2H3;/t19-,20-,21+;;;;/m1..../s1
InChIKeyHPEXHOWLCLUEIU-QWESSATDSA-N
MW731.84 g/mol
LogP11.68
Rot. Bonds15

About [(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

[(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 (PubChem CID 10941616) has the molecular formula C35H72O4Si2Sn and a molecular weight of 731.84 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID10941616
Molecular FormulaC35H72O4Si2Sn
Molecular Weight731.84 g/mol
Exact Mass732.40
IUPAC Name[(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
SMILESCCCC[Sn](CCCC)(CCCC)C1=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/C23H45O4Si2.3C4H9.Sn/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;3*1-3-4-2;/h13,16-21H,15H2,1-12H3;3*1,3-4H2,2H3;/t19-,20-,21+;;;;/m1..../s1
InChIKeyHPEXHOWLCLUEIU-QWESSATDSA-N
XLogP11.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.84
LogP ≤ 511.68
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-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane with MolForge

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

Launch Full Analysis

Related Compounds

Tri-O-(tert-butyldimethylsilyl)-D-glucal
CID 10648718
1,5-Anhydro-2-deoxy-3,4,6-tris-O-(triisopropylsilyl)-D-arabino-hex-1-enitol
CID 11181065
[(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
tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane
CID 10909148
triethyl-[[(2R,3R,4R)-3-triethylsilyloxy-2-(triethylsilyloxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane
CID 10863880
[(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-iodo-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
CID 11124630
tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 11169717
(((2R,3R,4R)-6-iodo-2-(((Triisopropylsilyl)oxy)methyl)-3,4-dihydro-2H-pyran-3,4-diyl)bis(oxy))bis(triisopropylsilane)
CID 11787507
3,4,6-tri-O-(t-butyldimethylsilyl)-1-(tributylstannyl)-d-glucal
CID 14559079
[(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
tert-butyl-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 21607910

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CCCC[Sn](CCCC)(CCCC)C1=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-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is HPEXHOWLCLUEIU-QWESSATDSA-N. The full InChI is InChI=1S/C23H45O4Si2.3C4H9.Sn/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;3*1-3-4-2;/h13,16-21H,15H2,1-12H3;3*1,3-4H2,2H3;/t19-,20-,21+;;;;/m1..../s1.
What are the key properties of [(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?
[(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 has a molecular weight of 731.84 g/mol, XLogP of 11.68, 15 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-tributylstannyl-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 10941616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).