ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanoate

C22H48O4Si2 — CID 10928192

IUPACethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanoate
SMILESCCOC(=O)C(CCCO[Si](C)(C)C(C)(C)C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O4Si2/c1-12-24-20(23)19(15-13-17-25-27(8,9)21(2,3)4)16-14-18-26-28(10,11)22(5,6)7/h19H,12-18H2,1-11H3
InChIKeyWUCQWJOSMWCOLM-UHFFFAOYSA-N
MW432.79 g/mol
LogP6.77
Rot. Bonds12

About ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanoate

ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanoate (PubChem CID 10928192) has the molecular formula C22H48O4Si2 and a molecular weight of 432.79 g/mol. Its IUPAC name is ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanoate
PubChem CID10928192
Molecular FormulaC22H48O4Si2
Molecular Weight432.79 g/mol
Exact Mass432.31
IUPAC Nameethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanoate
SMILESCCOC(=O)C(CCCO[Si](C)(C)C(C)(C)C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O4Si2/c1-12-24-20(23)19(15-13-17-25-27(8,9)21(2,3)4)16-14-18-26-28(10,11)22(5,6)7/h19H,12-18H2,1-11H3
InChIKeyWUCQWJOSMWCOLM-UHFFFAOYSA-N
XLogP6.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.79
LogP ≤ 56.77
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 ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanoate?
The IUPAC name of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanoate (CID 10928192) is ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanoate.
What is the SMILES notation for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanoate?
The canonical SMILES for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanoate is CCOC(=O)C(CCCO[Si](C)(C)C(C)(C)C)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanoate?
The InChIKey is WUCQWJOSMWCOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O4Si2/c1-12-24-20(23)19(15-13-17-25-27(8,9)21(2,3)4)16-14-18-26-28(10,11)22(5,6)7/h19H,12-18H2,1-11H3.
What are the key properties of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanoate?
ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanoate has a molecular weight of 432.79 g/mol, XLogP of 6.77, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanoate is sourced from PubChem (CID 10928192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).