2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol

C32H42O6Si — CID 627550

IUPAC2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol
SMILESCOc1ccc(C(OCC2OC(O[Si](C)(C)C(C)(C)C)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H42O6Si/c1-31(2,3)39(6,7)38-30-21-28(33)29(37-30)22-36-32(23-11-9-8-10-12-23,24-13-17-26(34-4)18-14-24)25-15-19-27(35-5)20-16-25/h8-20,28-30,33H,21-22H2,1-7H3
InChIKeySZTWNFUXRZUQKN-UHFFFAOYSA-N
MW550.77 g/mol
LogP6.51
Rot. Bonds10

About 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol

2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol (PubChem CID 627550) has the molecular formula C32H42O6Si and a molecular weight of 550.77 g/mol. Its IUPAC name is 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol.

Molecular Properties

Compound Name2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol
PubChem CID627550
Molecular FormulaC32H42O6Si
Molecular Weight550.77 g/mol
Exact Mass550.28
IUPAC Name2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol
SMILESCOc1ccc(C(OCC2OC(O[Si](C)(C)C(C)(C)C)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H42O6Si/c1-31(2,3)39(6,7)38-30-21-28(33)29(37-30)22-36-32(23-11-9-8-10-12-23,24-13-17-26(34-4)18-14-24)25-15-19-27(35-5)20-16-25/h8-20,28-30,33H,21-22H2,1-7H3
InChIKeySZTWNFUXRZUQKN-UHFFFAOYSA-N
XLogP6.51
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.77
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol?
The IUPAC name of 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol (CID 627550) is 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol.
What is the SMILES notation for 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol?
The canonical SMILES for 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol is COc1ccc(C(OCC2OC(O[Si](C)(C)C(C)(C)C)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol?
The InChIKey is SZTWNFUXRZUQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42O6Si/c1-31(2,3)39(6,7)38-30-21-28(33)29(37-30)22-36-32(23-11-9-8-10-12-23,24-13-17-26(34-4)18-14-24)25-15-19-27(35-5)20-16-25/h8-20,28-30,33H,21-22H2,1-7H3.
What are the key properties of 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol?
2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol has a molecular weight of 550.77 g/mol, XLogP of 6.51, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol is sourced from PubChem (CID 627550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).