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

C32H70O9Si4 — CID 19373867

IUPAC[4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate
SMILESCCCCCC[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)CCCCCC
InChIInChI=1S/C32H70O9Si4/c1-13-17-19-21-23-42(5,6)40-44(9,10)25(15-3)27(33)29(35)31(37)39-32(38)30(36)28(34)26(16-4)45(11,12)41-43(7,8)24-22-20-18-14-2/h25-30,33-36H,13-24H2,1-12H3
InChIKeyKADLVUPSRQCZEC-UHFFFAOYSA-N
MW711.25 g/mol
LogP7.07
Rot. Bonds24

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

[4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate (PubChem CID 19373867) has the molecular formula C32H70O9Si4 and a molecular weight of 711.25 g/mol. Its IUPAC name is [4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate.

Molecular Properties

Compound Name[4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate
PubChem CID19373867
Molecular FormulaC32H70O9Si4
Molecular Weight711.25 g/mol
Exact Mass710.41
IUPAC Name[4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate
SMILESCCCCCC[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)CCCCCC
InChIInChI=1S/C32H70O9Si4/c1-13-17-19-21-23-42(5,6)40-44(9,10)25(15-3)27(33)29(35)31(37)39-32(38)30(36)28(34)26(16-4)45(11,12)41-43(7,8)24-22-20-18-14-2/h25-30,33-36H,13-24H2,1-12H3
InChIKeyKADLVUPSRQCZEC-UHFFFAOYSA-N
XLogP7.07
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.25
LogP ≤ 57.07
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-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate?
The IUPAC name of [4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate (CID 19373867) is [4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate.
What is the SMILES notation for [4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate?
The canonical SMILES for [4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate is CCCCCC[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)CCCCCC.
What is the InChIKey of [4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate?
The InChIKey is KADLVUPSRQCZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H70O9Si4/c1-13-17-19-21-23-42(5,6)40-44(9,10)25(15-3)27(33)29(35)31(37)39-32(38)30(36)28(34)26(16-4)45(11,12)41-43(7,8)24-22-20-18-14-2/h25-30,33-36H,13-24H2,1-12H3.
What are the key properties of [4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate?
[4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate has a molecular weight of 711.25 g/mol, XLogP of 7.07, 24 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoyl] 4-[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]-2,3-dihydroxyhexanoate is sourced from PubChem (CID 19373867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).