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

C52H110O9Si4 — CID 19373866

IUPAC[4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate
SMILESCCCCCCCCCCCCCCCC[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)CCCCCCCCCCCCCCCC
InChIInChI=1S/C52H110O9Si4/c1-13-17-19-21-23-25-27-29-31-33-35-37-39-41-43-62(5,6)60-64(9,10)45(15-3)47(53)49(55)51(57)59-52(58)50(56)48(54)46(16-4)65(11,12)61-63(7,8)44-42-40-38-36-34-32-30-28-26-24-22-20-18-14-2/h45-50,53-56H,13-44H2,1-12H3
InChIKeyULBZMNGCTKKGSN-UHFFFAOYSA-N
MW991.79 g/mol
LogP14.88
Rot. Bonds44

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

[4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate (PubChem CID 19373866) has the molecular formula C52H110O9Si4 and a molecular weight of 991.79 g/mol. Its IUPAC name is [4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate.

Molecular Properties

Compound Name[4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate
PubChem CID19373866
Molecular FormulaC52H110O9Si4
Molecular Weight991.79 g/mol
Exact Mass990.72
IUPAC Name[4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate
SMILESCCCCCCCCCCCCCCCC[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)CCCCCCCCCCCCCCCC
InChIInChI=1S/C52H110O9Si4/c1-13-17-19-21-23-25-27-29-31-33-35-37-39-41-43-62(5,6)60-64(9,10)45(15-3)47(53)49(55)51(57)59-52(58)50(56)48(54)46(16-4)65(11,12)61-63(7,8)44-42-40-38-36-34-32-30-28-26-24-22-20-18-14-2/h45-50,53-56H,13-44H2,1-12H3
InChIKeyULBZMNGCTKKGSN-UHFFFAOYSA-N
XLogP14.88
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds44
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.79
LogP ≤ 514.88
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-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate?
The IUPAC name of [4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate (CID 19373866) is [4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate.
What is the SMILES notation for [4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate?
The canonical SMILES for [4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate is CCCCCCCCCCCCCCCC[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)CCCCCCCCCCCCCCCC.
What is the InChIKey of [4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate?
The InChIKey is ULBZMNGCTKKGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H110O9Si4/c1-13-17-19-21-23-25-27-29-31-33-35-37-39-41-43-62(5,6)60-64(9,10)45(15-3)47(53)49(55)51(57)59-52(58)50(56)48(54)46(16-4)65(11,12)61-63(7,8)44-42-40-38-36-34-32-30-28-26-24-22-20-18-14-2/h45-50,53-56H,13-44H2,1-12H3.
What are the key properties of [4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate?
[4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate has a molecular weight of 991.79 g/mol, XLogP of 14.88, 44 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexadecyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate is sourced from PubChem (CID 19373866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).