bis(2-butoxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate

C42H68O8Si2 — CID 71579944

IUPACbis(2-butoxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
SMILESCCCCOCCOC(=O)C1C(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)C(C(=O)OCCOCCCC)C1c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C42H68O8Si2/c1-13-15-25-45-27-29-47-39(43)37-35(31-17-21-33(22-18-31)49-51(9,10)41(3,4)5)38(40(44)48-30-28-46-26-16-14-2)36(37)32-19-23-34(24-20-32)50-52(11,12)42(6,7)8/h17-24,35-38H,13-16,25-30H2,1-12H3
InChIKeyGREXSQRAWSQNIP-UHFFFAOYSA-N
MW757.17 g/mol
LogP10.29
Rot. Bonds20

About bis(2-butoxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate

bis(2-butoxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate (PubChem CID 71579944) has the molecular formula C42H68O8Si2 and a molecular weight of 757.17 g/mol. Its IUPAC name is bis(2-butoxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate.

Molecular Properties

Compound Namebis(2-butoxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
PubChem CID71579944
Molecular FormulaC42H68O8Si2
Molecular Weight757.17 g/mol
Exact Mass756.45
IUPAC Namebis(2-butoxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
SMILESCCCCOCCOC(=O)C1C(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)C(C(=O)OCCOCCCC)C1c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C42H68O8Si2/c1-13-15-25-45-27-29-47-39(43)37-35(31-17-21-33(22-18-31)49-51(9,10)41(3,4)5)38(40(44)48-30-28-46-26-16-14-2)36(37)32-19-23-34(24-20-32)50-52(11,12)42(6,7)8/h17-24,35-38H,13-16,25-30H2,1-12H3
InChIKeyGREXSQRAWSQNIP-UHFFFAOYSA-N
XLogP10.29
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.17
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 bis(2-butoxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate?
The IUPAC name of bis(2-butoxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate (CID 71579944) is bis(2-butoxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate.
What is the SMILES notation for bis(2-butoxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate?
The canonical SMILES for bis(2-butoxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate is CCCCOCCOC(=O)C1C(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)C(C(=O)OCCOCCCC)C1c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of bis(2-butoxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate?
The InChIKey is GREXSQRAWSQNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H68O8Si2/c1-13-15-25-45-27-29-47-39(43)37-35(31-17-21-33(22-18-31)49-51(9,10)41(3,4)5)38(40(44)48-30-28-46-26-16-14-2)36(37)32-19-23-34(24-20-32)50-52(11,12)42(6,7)8/h17-24,35-38H,13-16,25-30H2,1-12H3.
What are the key properties of bis(2-butoxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate?
bis(2-butoxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate has a molecular weight of 757.17 g/mol, XLogP of 10.29, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butoxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate is sourced from PubChem (CID 71579944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).