bis[4-[2-(4-triethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate

C43H58O5Si2 — CID 15949735

IUPACbis[4-[2-(4-triethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate
SMILESCC[Si](CC)(CC)Oc1ccc(C(C)(C)c2ccc(OC(=O)Oc3ccc(C(C)(C)c4ccc(O[Si](CC)(CC)CC)cc4)cc3)cc2)cc1
InChIInChI=1S/C43H58O5Si2/c1-11-49(12-2,13-3)47-39-29-21-35(22-30-39)42(7,8)33-17-25-37(26-18-33)45-41(44)46-38-27-19-34(20-28-38)43(9,10)36-23-31-40(32-24-36)48-50(14-4,15-5)16-6/h17-32H,11-16H2,1-10H3
InChIKeyOTDYBEFOFWRBLJ-UHFFFAOYSA-N
MW711.10 g/mol
LogP12.68
Rot. Bonds16

About bis[4-[2-(4-triethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate

bis[4-[2-(4-triethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate (PubChem CID 15949735) has the molecular formula C43H58O5Si2 and a molecular weight of 711.10 g/mol. Its IUPAC name is bis[4-[2-(4-triethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate.

Molecular Properties

Compound Namebis[4-[2-(4-triethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate
PubChem CID15949735
Molecular FormulaC43H58O5Si2
Molecular Weight711.10 g/mol
Exact Mass710.38
IUPAC Namebis[4-[2-(4-triethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate
SMILESCC[Si](CC)(CC)Oc1ccc(C(C)(C)c2ccc(OC(=O)Oc3ccc(C(C)(C)c4ccc(O[Si](CC)(CC)CC)cc4)cc3)cc2)cc1
InChIInChI=1S/C43H58O5Si2/c1-11-49(12-2,13-3)47-39-29-21-35(22-30-39)42(7,8)33-17-25-37(26-18-33)45-41(44)46-38-27-19-34(20-28-38)43(9,10)36-23-31-40(32-24-36)48-50(14-4,15-5)16-6/h17-32H,11-16H2,1-10H3
InChIKeyOTDYBEFOFWRBLJ-UHFFFAOYSA-N
XLogP12.68
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.10
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[4-[2-(4-triethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate?
The IUPAC name of bis[4-[2-(4-triethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate (CID 15949735) is bis[4-[2-(4-triethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate.
What is the SMILES notation for bis[4-[2-(4-triethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate?
The canonical SMILES for bis[4-[2-(4-triethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate is CC[Si](CC)(CC)Oc1ccc(C(C)(C)c2ccc(OC(=O)Oc3ccc(C(C)(C)c4ccc(O[Si](CC)(CC)CC)cc4)cc3)cc2)cc1.
What is the InChIKey of bis[4-[2-(4-triethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate?
The InChIKey is OTDYBEFOFWRBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H58O5Si2/c1-11-49(12-2,13-3)47-39-29-21-35(22-30-39)42(7,8)33-17-25-37(26-18-33)45-41(44)46-38-27-19-34(20-28-38)43(9,10)36-23-31-40(32-24-36)48-50(14-4,15-5)16-6/h17-32H,11-16H2,1-10H3.
What are the key properties of bis[4-[2-(4-triethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate?
bis[4-[2-(4-triethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate has a molecular weight of 711.10 g/mol, XLogP of 12.68, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[2-(4-triethylsilyloxyphenyl)propan-2-yl]phenyl] carbonate is sourced from PubChem (CID 15949735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).