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

C26H58O7Si4 — CID 523708

IUPAC[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OC1OC(CO[Si](C)(C)C)C(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
InChIKeyOVXMRISJDUWFKB-UHFFFAOYSA-N
MW595.09 g/mol
LogP6.98
Rot. Bonds15

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

[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate (PubChem CID 523708) has the molecular formula C26H58O7Si4 and a molecular weight of 595.09 g/mol. Its IUPAC name is [3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate.

Molecular Properties

Compound Name[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate
PubChem CID523708
Molecular FormulaC26H58O7Si4
Molecular Weight595.09 g/mol
Exact Mass594.33
IUPAC Name[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OC1OC(CO[Si](C)(C)C)C(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
InChIKeyOVXMRISJDUWFKB-UHFFFAOYSA-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

[(2R,3S,4S,5R)-6-acetyloxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl acetate
CID 102046288
trimethyl-[[(3S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]silane
CID 6427996
trimethyl-[[(2R,3R,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]silane
CID 22211662
trimethyl-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]silane
CID 11038830
trimethyl-[(2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane
CID 91747556
trimethyl-[[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-[(2R,4S,5R,6S)-4,5,6-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]silane
CID 91750456
trimethyl-[(2R,3R,4R,5R)-4-trimethylsilyloxy-2,5-bis(trimethylsilyloxymethyl)oxolan-3-yl]oxysilane
CID 91750468
[3-acetyloxy-6-methoxy-4,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate
CID 609191
1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one
CID 612384
[(2R,3R,4S,5R,6R)-2-iodo-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxy-trimethylsilane
CID 11490106
[3,4,5-tris(trimethylsilyloxy)-6-[4,5,6-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methanol
CID 170452869
[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methanamine
CID 141476923

Frequently Asked Questions

What is the IUPAC name of [3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate?
The IUPAC name of [3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate (CID 523708) is [3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate.
What is the SMILES notation for [3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate?
The canonical SMILES for [3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate is CCCC(CCC)C(=O)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of [3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate?
The InChIKey is OVXMRISJDUWFKB-UHFFFAOYSA-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.
What are the key properties of [3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate?
[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 [3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl] 2-propylpentanoate is sourced from PubChem (CID 523708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).