[(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane

C19H38O4Si2 — CID 177461048

IUPAC[(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=CO[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]21
InChIInChI=1S/C19H38O4Si2/c1-17(2,3)24(10,11)21-14-12-13-20-16-15(14)22-25(23-16,18(4,5)6)19(7,8)9/h12-16H,1-11H3/t14-,15-,16-/m1/s1
InChIKeyLOHQFXJJYDXXOQ-BZUAXINKSA-N
MW386.68 g/mol
LogP5.70
Rot. Bonds2

About [(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane

[(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 177461048) has the molecular formula C19H38O4Si2 and a molecular weight of 386.68 g/mol. Its IUPAC name is [(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane
PubChem CID177461048
Molecular FormulaC19H38O4Si2
Molecular Weight386.68 g/mol
Exact Mass386.23
IUPAC Name[(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=CO[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]21
InChIInChI=1S/C19H38O4Si2/c1-17(2,3)24(10,11)21-14-12-13-20-16-15(14)22-25(23-16,18(4,5)6)19(7,8)9/h12-16H,1-11H3/t14-,15-,16-/m1/s1
InChIKeyLOHQFXJJYDXXOQ-BZUAXINKSA-N
XLogP5.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.68
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 11824133
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CID 59672533
(1R,2S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol
CID 101334341
[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
CID 14054746
[(4aR,6R,7R,7aR)-6-azido-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane
CID 122403252
[(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2-diazoacetate
CID 102378005
tert-butyl-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 102304224
1-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-5-bromopyrimidine-2,4-dione
CID 154501717
5-[(4aR,6S,7S,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-N,N-dibenzylpyrimidin-2-amine
CID 44518881
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol
CID 22859287
[(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane
CID 11453496
[(4aR,6R,7R,7aR)-2,2-ditert-butyl-6-[6-(3-phenylphenyl)purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane
CID 154335342

Frequently Asked Questions

What is the IUPAC name of [(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane (CID 177461048) is [(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1C=CO[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]21.
What is the InChIKey of [(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is LOHQFXJJYDXXOQ-BZUAXINKSA-N. The full InChI is InChI=1S/C19H38O4Si2/c1-17(2,3)24(10,11)21-14-12-13-20-16-15(14)22-25(23-16,18(4,5)6)19(7,8)9/h12-16H,1-11H3/t14-,15-,16-/m1/s1.
What are the key properties of [(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
[(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 386.68 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 177461048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).