hexyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate

C23H50O4Si2 — CID 156726766

IUPAChexyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate
SMILESCCCCCCOC(=O)CC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O4Si2/c1-12-13-14-15-16-25-21(24)17-20(18-26-28(8,9)22(2,3)4)19-27-29(10,11)23(5,6)7/h20H,12-19H2,1-11H3
InChIKeyRFJIPFZBCDWYMZ-UHFFFAOYSA-N
MW446.82 g/mol
LogP7.16
Rot. Bonds13

About hexyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate

hexyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate (PubChem CID 156726766) has the molecular formula C23H50O4Si2 and a molecular weight of 446.82 g/mol. Its IUPAC name is hexyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate.

Molecular Properties

Compound Namehexyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate
PubChem CID156726766
Molecular FormulaC23H50O4Si2
Molecular Weight446.82 g/mol
Exact Mass446.32
IUPAC Namehexyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate
SMILESCCCCCCOC(=O)CC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O4Si2/c1-12-13-14-15-16-25-21(24)17-20(18-26-28(8,9)22(2,3)4)19-27-29(10,11)23(5,6)7/h20H,12-19H2,1-11H3
InChIKeyRFJIPFZBCDWYMZ-UHFFFAOYSA-N
XLogP7.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.82
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate?
The IUPAC name of hexyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate (CID 156726766) is hexyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate.
What is the SMILES notation for hexyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate?
The canonical SMILES for hexyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate is CCCCCCOC(=O)CC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of hexyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate?
The InChIKey is RFJIPFZBCDWYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O4Si2/c1-12-13-14-15-16-25-21(24)17-20(18-26-28(8,9)22(2,3)4)19-27-29(10,11)23(5,6)7/h20H,12-19H2,1-11H3.
What are the key properties of hexyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate?
hexyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate has a molecular weight of 446.82 g/mol, XLogP of 7.16, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanoate is sourced from PubChem (CID 156726766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).