[4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate

C26H52O5Si2 — CID 4193511

IUPAC[4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate
SMILESCC(=O)OC1C(O[Si](C(C)C)(C(C)C)C(C)C)C=COC1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H52O5Si2/c1-17(2)32(18(3)4,19(5)6)29-16-25-26(30-23(13)27)24(14-15-28-25)31-33(20(7)8,21(9)10)22(11)12/h14-15,17-22,24-26H,16H2,1-13H3
InChIKeyQRUQNCIVNNLVGC-UHFFFAOYSA-N
MW500.87 g/mol
LogP7.58
Rot. Bonds12

About [4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate

[4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate (PubChem CID 4193511) has the molecular formula C26H52O5Si2 and a molecular weight of 500.87 g/mol. Its IUPAC name is [4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate.

Molecular Properties

Compound Name[4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate
PubChem CID4193511
Molecular FormulaC26H52O5Si2
Molecular Weight500.87 g/mol
Exact Mass500.34
IUPAC Name[4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate
SMILESCC(=O)OC1C(O[Si](C(C)C)(C(C)C)C(C)C)C=COC1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H52O5Si2/c1-17(2)32(18(3)4,19(5)6)29-16-25-26(30-23(13)27)24(14-15-28-25)31-33(20(7)8,21(9)10)22(11)12/h14-15,17-22,24-26H,16H2,1-13H3
InChIKeyQRUQNCIVNNLVGC-UHFFFAOYSA-N
XLogP7.58
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.87
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
[(2R,3R,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
CID 16213682
3,4-di-acetyl-6-O-(tert-butyldimethylsilyl)-D-Galactal
CID 10450207
triethyl-[[(2R,3R,4R)-3-triethylsilyloxy-2-(triethylsilyloxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane
CID 10863880
D-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-6-O-[(1,1-dimethylethyl)dimethylsilyl]-, 3,4-diacetate
CID 11405211
[(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 10450206
[(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] acetate
CID 11348035
3,4-Di-O-acetyl-6-O-(triisopropylsilyl)-D-glucal
CID 11731809
(2,2-Ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl) acetate
CID 72811302
[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-3-yl] acetate
CID 91434141
[(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

Frequently Asked Questions

What is the IUPAC name of [4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate?
The IUPAC name of [4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate (CID 4193511) is [4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate.
What is the SMILES notation for [4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate?
The canonical SMILES for [4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate is CC(=O)OC1C(O[Si](C(C)C)(C(C)C)C(C)C)C=COC1CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate?
The InChIKey is QRUQNCIVNNLVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O5Si2/c1-17(2)32(18(3)4,19(5)6)29-16-25-26(30-23(13)27)24(14-15-28-25)31-33(20(7)8,21(9)10)22(11)12/h14-15,17-22,24-26H,16H2,1-13H3.
What are the key properties of [4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate?
[4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate has a molecular weight of 500.87 g/mol, XLogP of 7.58, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate is sourced from PubChem (CID 4193511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).