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

C19H34O6Si — CID 11731809

IUPAC[(2R,3S,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](OC(C)=O)C=CO[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H34O6Si/c1-12(2)26(13(3)4,14(5)6)23-11-18-19(25-16(8)21)17(9-10-22-18)24-15(7)20/h9-10,12-14,17-19H,11H2,1-8H3/t17-,18-,19+/m1/s1
InChIKeyQKFMTAHXVXFZEZ-QRVBRYPASA-N
MW386.56 g/mol
LogP3.95
Rot. Bonds8

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

[(2R,3S,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate (PubChem CID 11731809) has the molecular formula C19H34O6Si and a molecular weight of 386.56 g/mol. Its IUPAC name is [(2R,3S,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
PubChem CID11731809
Molecular FormulaC19H34O6Si
Molecular Weight386.56 g/mol
Exact Mass386.21
IUPAC Name[(2R,3S,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](OC(C)=O)C=CO[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H34O6Si/c1-12(2)26(13(3)4,14(5)6)23-11-18-19(25-16(8)21)17(9-10-22-18)24-15(7)20/h9-10,12-14,17-19H,11H2,1-8H3/t17-,18-,19+/m1/s1
InChIKeyQKFMTAHXVXFZEZ-QRVBRYPASA-N
XLogP3.95
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
The IUPAC name of [(2R,3S,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate (CID 11731809) is [(2R,3S,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate.
What is the SMILES notation for [(2R,3S,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
The canonical SMILES for [(2R,3S,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate is CC(=O)O[C@H]1[C@H](OC(C)=O)C=CO[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2R,3S,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
The InChIKey is QKFMTAHXVXFZEZ-QRVBRYPASA-N. The full InChI is InChI=1S/C19H34O6Si/c1-12(2)26(13(3)4,14(5)6)23-11-18-19(25-16(8)21)17(9-10-22-18)24-15(7)20/h9-10,12-14,17-19H,11H2,1-8H3/t17-,18-,19+/m1/s1.
What are the key properties of [(2R,3S,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
[(2R,3S,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate has a molecular weight of 386.56 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate is sourced from PubChem (CID 11731809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).