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

C26H52O5Si2 — CID 10864029

IUPAC[(2R,3S,4R)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C=CO[C@@H]1CO[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/t24-,25-,26-/m1/s1
InChIKeyQRUQNCIVNNLVGC-TWJOJJKGSA-N
MW500.87 g/mol
LogP7.58
Rot. Bonds12

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

[(2R,3S,4R)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate (PubChem CID 10864029) has the molecular formula C26H52O5Si2 and a molecular weight of 500.87 g/mol. Its IUPAC name is [(2R,3S,4R)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4R)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate
PubChem CID10864029
Molecular FormulaC26H52O5Si2
Molecular Weight500.87 g/mol
Exact Mass500.34
IUPAC Name[(2R,3S,4R)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C=CO[C@@H]1CO[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/t24-,25-,26-/m1/s1
InChIKeyQRUQNCIVNNLVGC-TWJOJJKGSA-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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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate?
The IUPAC name of [(2R,3S,4R)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate (CID 10864029) is [(2R,3S,4R)-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 [(2R,3S,4R)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate?
The canonical SMILES for [(2R,3S,4R)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate is CC(=O)O[C@@H]1[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C=CO[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2R,3S,4R)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate?
The InChIKey is QRUQNCIVNNLVGC-TWJOJJKGSA-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/t24-,25-,26-/m1/s1.
What are the key properties of [(2R,3S,4R)-4-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3-yl] acetate?
[(2R,3S,4R)-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 [(2R,3S,4R)-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 10864029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).