[4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate

C40H86O9Si4 — CID 19373868

IUPAC[4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate
SMILESCCCCCCCCCC[Si](C)(C)O[Si](C)(C)C(CC)C(O)C(O)C(=O)OC(=O)C(O)C(O)C(CC)[Si](C)(C)O[Si](C)(C)CCCCCCCCCC
InChIInChI=1S/C40H86O9Si4/c1-13-17-19-21-23-25-27-29-31-50(5,6)48-52(9,10)33(15-3)35(41)37(43)39(45)47-40(46)38(44)36(42)34(16-4)53(11,12)49-51(7,8)32-30-28-26-24-22-20-18-14-2/h33-38,41-44H,13-32H2,1-12H3
InChIKeySLWCKKPSUUSKAS-UHFFFAOYSA-N
MW823.46 g/mol
LogP10.20
Rot. Bonds32

About [4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate

[4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate (PubChem CID 19373868) has the molecular formula C40H86O9Si4 and a molecular weight of 823.46 g/mol. Its IUPAC name is [4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate.

Molecular Properties

Compound Name[4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate
PubChem CID19373868
Molecular FormulaC40H86O9Si4
Molecular Weight823.46 g/mol
Exact Mass822.53
IUPAC Name[4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate
SMILESCCCCCCCCCC[Si](C)(C)O[Si](C)(C)C(CC)C(O)C(O)C(=O)OC(=O)C(O)C(O)C(CC)[Si](C)(C)O[Si](C)(C)CCCCCCCCCC
InChIInChI=1S/C40H86O9Si4/c1-13-17-19-21-23-25-27-29-31-50(5,6)48-52(9,10)33(15-3)35(41)37(43)39(45)47-40(46)38(44)36(42)34(16-4)53(11,12)49-51(7,8)32-30-28-26-24-22-20-18-14-2/h33-38,41-44H,13-32H2,1-12H3
InChIKeySLWCKKPSUUSKAS-UHFFFAOYSA-N
XLogP10.20
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds32
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.46
LogP ≤ 510.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate?
The IUPAC name of [4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate (CID 19373868) is [4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate.
What is the SMILES notation for [4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate?
The canonical SMILES for [4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate is CCCCCCCCCC[Si](C)(C)O[Si](C)(C)C(CC)C(O)C(O)C(=O)OC(=O)C(O)C(O)C(CC)[Si](C)(C)O[Si](C)(C)CCCCCCCCCC.
What is the InChIKey of [4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate?
The InChIKey is SLWCKKPSUUSKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H86O9Si4/c1-13-17-19-21-23-25-27-29-31-50(5,6)48-52(9,10)33(15-3)35(41)37(43)39(45)47-40(46)38(44)36(42)34(16-4)53(11,12)49-51(7,8)32-30-28-26-24-22-20-18-14-2/h33-38,41-44H,13-32H2,1-12H3.
What are the key properties of [4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate?
[4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate has a molecular weight of 823.46 g/mol, XLogP of 10.20, 32 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[decyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate is sourced from PubChem (CID 19373868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).