[(2R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate

C26H58O7Si4 — CID 6427367

IUPAC[(2R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate
SMILESCCCC(CCC)C(=O)O[C@H]1OC(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C26H58O7Si4/c1-15-17-20(18-16-2)25(27)30-26-24(33-37(12,13)14)23(32-36(9,10)11)22(31-35(6,7)8)21(29-26)19-28-34(3,4)5/h20-24,26H,15-19H2,1-14H3/t21?,22-,23?,24?,26-/m1/s1
InChIKeyOVXMRISJDUWFKB-HGQHCNMCSA-N
MW595.09 g/mol
LogP6.98
Rot. Bonds15

About [(2R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate

[(2R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate (PubChem CID 6427367) has the molecular formula C26H58O7Si4 and a molecular weight of 595.09 g/mol. Its IUPAC name is [(2R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate.

Molecular Properties

Compound Name[(2R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate
PubChem CID6427367
Molecular FormulaC26H58O7Si4
Molecular Weight595.09 g/mol
Exact Mass594.33
IUPAC Name[(2R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate
SMILESCCCC(CCC)C(=O)O[C@H]1OC(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C26H58O7Si4/c1-15-17-20(18-16-2)25(27)30-26-24(33-37(12,13)14)23(32-36(9,10)11)22(31-35(6,7)8)21(29-26)19-28-34(3,4)5/h20-24,26H,15-19H2,1-14H3/t21?,22-,23?,24?,26-/m1/s1
InChIKeyOVXMRISJDUWFKB-HGQHCNMCSA-N
XLogP6.98
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.09
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-Propylpentanoic acid, 2,3,4,6-tetra(trimethylsilyl)-1-glucopyranoside
CID 523708
methyl (3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1,3-dioxan-2-yl)hexanoate
CID 24814757
[(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate
CID 134835537
[(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate
CID 134867142
tert-butyl-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5,6-dimethyloxan-4-yl]oxy-dimethylsilane
CID 134971343
[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3,4,4-trimethylpentanoate
CID 135000137
[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3-methylpentanoate
CID 135000268
[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3,4,4-trimethylpentanoate
CID 135005975
[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3-methylpentanoate
CID 135006097
methyl (3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-trimethylsilyl-1,3-dioxan-1-ium-2-yl)hexanoate
CID 135009711
[2-Methoxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl] acetate
CID 552960
[2-Methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl] acetate
CID 552961

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate?
The IUPAC name of [(2R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate (CID 6427367) is [(2R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate.
What is the SMILES notation for [(2R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate?
The canonical SMILES for [(2R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate is CCCC(CCC)C(=O)O[C@H]1OC(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of [(2R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate?
The InChIKey is OVXMRISJDUWFKB-HGQHCNMCSA-N. The full InChI is InChI=1S/C26H58O7Si4/c1-15-17-20(18-16-2)25(27)30-26-24(33-37(12,13)14)23(32-36(9,10)11)22(31-35(6,7)8)21(29-26)19-28-34(3,4)5/h20-24,26H,15-19H2,1-14H3/t21?,22-,23?,24?,26-/m1/s1.
What are the key properties of [(2R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate?
[(2R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate has a molecular weight of 595.09 g/mol, XLogP of 6.98, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate is sourced from PubChem (CID 6427367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).