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

C44H68O6Si2 — CID 71579657

IUPACbis(cyclohexylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2C(C(=O)OCC3CCCCC3)C(c3ccc(O[Si](C)(C)C(C)(C)C)cc3)C2C(=O)OCC2CCCCC2)cc1
InChIInChI=1S/C44H68O6Si2/c1-43(2,3)51(7,8)49-35-25-21-33(22-26-35)37-39(41(45)47-29-31-17-13-11-14-18-31)38(40(37)42(46)48-30-32-19-15-12-16-20-32)34-23-27-36(28-24-34)50-52(9,10)44(4,5)6/h21-28,31-32,37-40H,11-20,29-30H2,1-10H3
InChIKeyLTGRUANIENHIFO-UHFFFAOYSA-N
MW749.19 g/mol
LogP11.81
Rot. Bonds12

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

bis(cyclohexylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate (PubChem CID 71579657) has the molecular formula C44H68O6Si2 and a molecular weight of 749.19 g/mol. Its IUPAC name is bis(cyclohexylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate.

Molecular Properties

Compound Namebis(cyclohexylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
PubChem CID71579657
Molecular FormulaC44H68O6Si2
Molecular Weight749.19 g/mol
Exact Mass748.46
IUPAC Namebis(cyclohexylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2C(C(=O)OCC3CCCCC3)C(c3ccc(O[Si](C)(C)C(C)(C)C)cc3)C2C(=O)OCC2CCCCC2)cc1
InChIInChI=1S/C44H68O6Si2/c1-43(2,3)51(7,8)49-35-25-21-33(22-26-35)37-39(41(45)47-29-31-17-13-11-14-18-31)38(40(37)42(46)48-30-32-19-15-12-16-20-32)34-23-27-36(28-24-34)50-52(9,10)44(4,5)6/h21-28,31-32,37-40H,11-20,29-30H2,1-10H3
InChIKeyLTGRUANIENHIFO-UHFFFAOYSA-N
XLogP11.81
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.19
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(cyclohexylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate with MolForge

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Related Compounds

bis(oxolan-2-ylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
CID 71579475
bis(2,2,2-trifluoroethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
CID 71580250
bis[(E)-hex-2-enyl] 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
CID 71580464
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
cyclohexylmethyl cyclopropanecarboxylate
CID 534303
bis[(4-tert-butylcyclohexyl)methyl] bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 139388049
7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one
CID 167488490
cyclohexylmethyl 6-(4-aminophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91592333
tert-butyl-[2-[cyclohexylmethoxy(dimethyl)silyl]-2-methyl-1-phenylpropoxy]-dimethylsilane
CID 18922427
cyclohexylmethyl 9H-xanthene-9-carboxylate
CID 7716785
4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethylbenzamide
CID 58586309
[4-[tert-butyl(dimethyl)silyl]oxyphenyl] N-ethylcarbamate
CID 69186234

Frequently Asked Questions

What is the IUPAC name of bis(cyclohexylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate?
The IUPAC name of bis(cyclohexylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate (CID 71579657) is bis(cyclohexylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate.
What is the SMILES notation for bis(cyclohexylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate?
The canonical SMILES for bis(cyclohexylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate is CC(C)(C)[Si](C)(C)Oc1ccc(C2C(C(=O)OCC3CCCCC3)C(c3ccc(O[Si](C)(C)C(C)(C)C)cc3)C2C(=O)OCC2CCCCC2)cc1.
What is the InChIKey of bis(cyclohexylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate?
The InChIKey is LTGRUANIENHIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H68O6Si2/c1-43(2,3)51(7,8)49-35-25-21-33(22-26-35)37-39(41(45)47-29-31-17-13-11-14-18-31)38(40(37)42(46)48-30-32-19-15-12-16-20-32)34-23-27-36(28-24-34)50-52(9,10)44(4,5)6/h21-28,31-32,37-40H,11-20,29-30H2,1-10H3.
What are the key properties of bis(cyclohexylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate?
bis(cyclohexylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate has a molecular weight of 749.19 g/mol, XLogP of 11.81, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclohexylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate is sourced from PubChem (CID 71579657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).