[(4aS,8R,8aS)-2,2-ditert-butyl-6-[hydroxy(dimethyl)silyl]-3,4a,8,8a-tetrahydropyrano[2,3-e][1,4,2]dioxasilin-8-yl]oxy-triethylsilane

C22H46O5Si3 — CID 134839354

IUPAC[(4aS,8R,8aS)-2,2-ditert-butyl-6-[hydroxy(dimethyl)silyl]-3,4a,8,8a-tetrahydropyrano[2,3-e][1,4,2]dioxasilin-8-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1C=C([Si](C)(C)O)O[C@@H]2OC[Si](C(C)(C)C)(C(C)(C)C)O[C@H]21
InChIInChI=1S/C22H46O5Si3/c1-12-29(13-2,14-3)26-17-15-18(28(10,11)23)25-20-19(17)27-30(16-24-20,21(4,5)6)22(7,8)9/h15,17,19-20,23H,12-14,16H2,1-11H3/t17-,19+,20+/m1/s1
InChIKeyVHZPPPNYKBOLPO-HOJAQTOUSA-N
MW474.86 g/mol
LogP5.85
Rot. Bonds6

About [(4aS,8R,8aS)-2,2-ditert-butyl-6-[hydroxy(dimethyl)silyl]-3,4a,8,8a-tetrahydropyrano[2,3-e][1,4,2]dioxasilin-8-yl]oxy-triethylsilane

[(4aS,8R,8aS)-2,2-ditert-butyl-6-[hydroxy(dimethyl)silyl]-3,4a,8,8a-tetrahydropyrano[2,3-e][1,4,2]dioxasilin-8-yl]oxy-triethylsilane (PubChem CID 134839354) has the molecular formula C22H46O5Si3 and a molecular weight of 474.86 g/mol. Its IUPAC name is [(4aS,8R,8aS)-2,2-ditert-butyl-6-[hydroxy(dimethyl)silyl]-3,4a,8,8a-tetrahydropyrano[2,3-e][1,4,2]dioxasilin-8-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(4aS,8R,8aS)-2,2-ditert-butyl-6-[hydroxy(dimethyl)silyl]-3,4a,8,8a-tetrahydropyrano[2,3-e][1,4,2]dioxasilin-8-yl]oxy-triethylsilane
PubChem CID134839354
Molecular FormulaC22H46O5Si3
Molecular Weight474.86 g/mol
Exact Mass474.27
IUPAC Name[(4aS,8R,8aS)-2,2-ditert-butyl-6-[hydroxy(dimethyl)silyl]-3,4a,8,8a-tetrahydropyrano[2,3-e][1,4,2]dioxasilin-8-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1C=C([Si](C)(C)O)O[C@@H]2OC[Si](C(C)(C)C)(C(C)(C)C)O[C@H]21
InChIInChI=1S/C22H46O5Si3/c1-12-29(13-2,14-3)26-17-15-18(28(10,11)23)25-20-19(17)27-30(16-24-20,21(4,5)6)22(7,8)9/h15,17,19-20,23H,12-14,16H2,1-11H3/t17-,19+,20+/m1/s1
InChIKeyVHZPPPNYKBOLPO-HOJAQTOUSA-N
XLogP5.85
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.86
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(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,3R,4S)-3-[[(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-3,4-dihydro-2H-pyran-6-yl]oxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane
CID 134833862
[(2R,3R,4R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane
CID 134879222

Frequently Asked Questions

What is the IUPAC name of [(4aS,8R,8aS)-2,2-ditert-butyl-6-[hydroxy(dimethyl)silyl]-3,4a,8,8a-tetrahydropyrano[2,3-e][1,4,2]dioxasilin-8-yl]oxy-triethylsilane?
The IUPAC name of [(4aS,8R,8aS)-2,2-ditert-butyl-6-[hydroxy(dimethyl)silyl]-3,4a,8,8a-tetrahydropyrano[2,3-e][1,4,2]dioxasilin-8-yl]oxy-triethylsilane (CID 134839354) is [(4aS,8R,8aS)-2,2-ditert-butyl-6-[hydroxy(dimethyl)silyl]-3,4a,8,8a-tetrahydropyrano[2,3-e][1,4,2]dioxasilin-8-yl]oxy-triethylsilane.
What is the SMILES notation for [(4aS,8R,8aS)-2,2-ditert-butyl-6-[hydroxy(dimethyl)silyl]-3,4a,8,8a-tetrahydropyrano[2,3-e][1,4,2]dioxasilin-8-yl]oxy-triethylsilane?
The canonical SMILES for [(4aS,8R,8aS)-2,2-ditert-butyl-6-[hydroxy(dimethyl)silyl]-3,4a,8,8a-tetrahydropyrano[2,3-e][1,4,2]dioxasilin-8-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@@H]1C=C([Si](C)(C)O)O[C@@H]2OC[Si](C(C)(C)C)(C(C)(C)C)O[C@H]21.
What is the InChIKey of [(4aS,8R,8aS)-2,2-ditert-butyl-6-[hydroxy(dimethyl)silyl]-3,4a,8,8a-tetrahydropyrano[2,3-e][1,4,2]dioxasilin-8-yl]oxy-triethylsilane?
The InChIKey is VHZPPPNYKBOLPO-HOJAQTOUSA-N. The full InChI is InChI=1S/C22H46O5Si3/c1-12-29(13-2,14-3)26-17-15-18(28(10,11)23)25-20-19(17)27-30(16-24-20,21(4,5)6)22(7,8)9/h15,17,19-20,23H,12-14,16H2,1-11H3/t17-,19+,20+/m1/s1.
What are the key properties of [(4aS,8R,8aS)-2,2-ditert-butyl-6-[hydroxy(dimethyl)silyl]-3,4a,8,8a-tetrahydropyrano[2,3-e][1,4,2]dioxasilin-8-yl]oxy-triethylsilane?
[(4aS,8R,8aS)-2,2-ditert-butyl-6-[hydroxy(dimethyl)silyl]-3,4a,8,8a-tetrahydropyrano[2,3-e][1,4,2]dioxasilin-8-yl]oxy-triethylsilane has a molecular weight of 474.86 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8R,8aS)-2,2-ditert-butyl-6-[hydroxy(dimethyl)silyl]-3,4a,8,8a-tetrahydropyrano[2,3-e][1,4,2]dioxasilin-8-yl]oxy-triethylsilane is sourced from PubChem (CID 134839354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).