[(3S,4R)-3,4-bis(triethylsilyloxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane

C24H52O4Si3 — CID 162414638

IUPAC[(3S,4R)-3,4-bis(triethylsilyloxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1C=COC(CO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C24H52O4Si3/c1-12-30(13-2,14-3)27-21-18-19-25-22(20-26-29(10,11)24(7,8)9)23(21)28-31(15-4,16-5)17-6/h18-19,21-23H,12-17,20H2,1-11H3/t21-,22?,23-/m1/s1
InChIKeyIMJRPULMBSCXOF-OJVMETQDSA-N
MW488.93 g/mol
LogP7.70
Rot. Bonds13

About [(3S,4R)-3,4-bis(triethylsilyloxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane

[(3S,4R)-3,4-bis(triethylsilyloxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 162414638) has the molecular formula C24H52O4Si3 and a molecular weight of 488.93 g/mol. Its IUPAC name is [(3S,4R)-3,4-bis(triethylsilyloxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3S,4R)-3,4-bis(triethylsilyloxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID162414638
Molecular FormulaC24H52O4Si3
Molecular Weight488.93 g/mol
Exact Mass488.32
IUPAC Name[(3S,4R)-3,4-bis(triethylsilyloxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1C=COC(CO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C24H52O4Si3/c1-12-30(13-2,14-3)27-21-18-19-25-22(20-26-29(10,11)24(7,8)9)23(21)28-31(15-4,16-5)17-6/h18-19,21-23H,12-17,20H2,1-11H3/t21-,22?,23-/m1/s1
InChIKeyIMJRPULMBSCXOF-OJVMETQDSA-N
XLogP7.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.93
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-Anhydro-2-deoxy-3,5-bis-O-(t-butyldimethylsilyl)-D-erythro-pent-1-enitol
CID 11824133
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
3,6-Di-O-tert-butyldimethylsilyl-D-glucal
CID 14176659
[(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
(4aR,8R,8aS)-2,2-ditert-butyl-8-ethenoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
CID 44235847
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-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
CID 10941616
lithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane
CID 11079036
[(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

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3,4-bis(triethylsilyloxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3S,4R)-3,4-bis(triethylsilyloxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane (CID 162414638) is [(3S,4R)-3,4-bis(triethylsilyloxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3S,4R)-3,4-bis(triethylsilyloxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3S,4R)-3,4-bis(triethylsilyloxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane is CC[Si](CC)(CC)O[C@@H]1C=COC(CO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of [(3S,4R)-3,4-bis(triethylsilyloxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is IMJRPULMBSCXOF-OJVMETQDSA-N. The full InChI is InChI=1S/C24H52O4Si3/c1-12-30(13-2,14-3)27-21-18-19-25-22(20-26-29(10,11)24(7,8)9)23(21)28-31(15-4,16-5)17-6/h18-19,21-23H,12-17,20H2,1-11H3/t21-,22?,23-/m1/s1.
What are the key properties of [(3S,4R)-3,4-bis(triethylsilyloxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
[(3S,4R)-3,4-bis(triethylsilyloxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 488.93 g/mol, XLogP of 7.70, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3,4-bis(triethylsilyloxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 162414638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).