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

C40H60O8Si2 — CID 71579475

IUPACbis(oxolan-2-ylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2C(C(=O)OCC3CCCO3)C(c3ccc(O[Si](C)(C)C(C)(C)C)cc3)C2C(=O)OCC2CCCO2)cc1
InChIInChI=1S/C40H60O8Si2/c1-39(2,3)49(7,8)47-29-19-15-27(16-20-29)33-35(37(41)45-25-31-13-11-23-43-31)34(36(33)38(42)46-26-32-14-12-24-44-32)28-17-21-30(22-18-28)48-50(9,10)40(4,5)6/h15-22,31-36H,11-14,23-26H2,1-10H3
InChIKeyQPHPKNDKXBJTCM-UHFFFAOYSA-N
MW725.08 g/mol
LogP9.01
Rot. Bonds12

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

bis(oxolan-2-ylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate (PubChem CID 71579475) has the molecular formula C40H60O8Si2 and a molecular weight of 725.08 g/mol. Its IUPAC name is bis(oxolan-2-ylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate.

Molecular Properties

Compound Namebis(oxolan-2-ylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
PubChem CID71579475
Molecular FormulaC40H60O8Si2
Molecular Weight725.08 g/mol
Exact Mass724.38
IUPAC Namebis(oxolan-2-ylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2C(C(=O)OCC3CCCO3)C(c3ccc(O[Si](C)(C)C(C)(C)C)cc3)C2C(=O)OCC2CCCO2)cc1
InChIInChI=1S/C40H60O8Si2/c1-39(2,3)49(7,8)47-29-19-15-27(16-20-29)33-35(37(41)45-25-31-13-11-23-43-31)34(36(33)38(42)46-26-32-14-12-24-44-32)28-17-21-30(22-18-28)48-50(9,10)40(4,5)6/h15-22,31-36H,11-14,23-26H2,1-10H3
InChIKeyQPHPKNDKXBJTCM-UHFFFAOYSA-N
XLogP9.01
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.08
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

bis(2-butoxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
CID 71579944
bis(2-propan-2-yloxyethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate
CID 71579848
[(2S)-oxolan-2-yl]methyl (5R,6S)-4-methylidene-2-oxo-6-(4-propoxyphenyl)-1,3-diazinane-5-carboxylate
CID 2252272
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
[(2R)-oxolan-2-yl]methyl 2-bromobenzoate
CID 2375210
oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate
CID 61308131
oxan-2-ylmethyl 2-(4-bromophenoxy)acetate
CID 78769379
oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 61279683
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813717

Frequently Asked Questions

What is the IUPAC name of bis(oxolan-2-ylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate?
The IUPAC name of bis(oxolan-2-ylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate (CID 71579475) is bis(oxolan-2-ylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate.
What is the SMILES notation for bis(oxolan-2-ylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate?
The canonical SMILES for bis(oxolan-2-ylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate is CC(C)(C)[Si](C)(C)Oc1ccc(C2C(C(=O)OCC3CCCO3)C(c3ccc(O[Si](C)(C)C(C)(C)C)cc3)C2C(=O)OCC2CCCO2)cc1.
What is the InChIKey of bis(oxolan-2-ylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate?
The InChIKey is QPHPKNDKXBJTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H60O8Si2/c1-39(2,3)49(7,8)47-29-19-15-27(16-20-29)33-35(37(41)45-25-31-13-11-23-43-31)34(36(33)38(42)46-26-32-14-12-24-44-32)28-17-21-30(22-18-28)48-50(9,10)40(4,5)6/h15-22,31-36H,11-14,23-26H2,1-10H3.
What are the key properties of bis(oxolan-2-ylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate?
bis(oxolan-2-ylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate has a molecular weight of 725.08 g/mol, XLogP of 9.01, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxolan-2-ylmethyl) 2,4-bis[4-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1,3-dicarboxylate is sourced from PubChem (CID 71579475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).