bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate

C31H50O5Si2 — CID 10325443

IUPACbis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate
SMILESCc1cc(CO[Si](C)(C)C(C)(C)C)cc(C)c1OC(=O)Oc1c(C)cc(CO[Si](C)(C)C(C)(C)C)cc1C
InChIInChI=1S/C31H50O5Si2/c1-21-15-25(19-33-37(11,12)30(5,6)7)16-22(2)27(21)35-29(32)36-28-23(3)17-26(18-24(28)4)20-34-38(13,14)31(8,9)10/h15-18H,19-20H2,1-14H3
InChIKeyQZXFCASDCYMCBV-UHFFFAOYSA-N
MW558.91 g/mol
LogP9.54
Rot. Bonds8

About bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate

bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate (PubChem CID 10325443) has the molecular formula C31H50O5Si2 and a molecular weight of 558.91 g/mol. Its IUPAC name is bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate.

Molecular Properties

Compound Namebis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate
PubChem CID10325443
Molecular FormulaC31H50O5Si2
Molecular Weight558.91 g/mol
Exact Mass558.32
IUPAC Namebis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate
SMILESCc1cc(CO[Si](C)(C)C(C)(C)C)cc(C)c1OC(=O)Oc1c(C)cc(CO[Si](C)(C)C(C)(C)C)cc1C
InChIInChI=1S/C31H50O5Si2/c1-21-15-25(19-33-37(11,12)30(5,6)7)16-22(2)27(21)35-29(32)36-28-23(3)17-26(18-24(28)4)20-34-38(13,14)31(8,9)10/h15-18H,19-20H2,1-14H3
InChIKeyQZXFCASDCYMCBV-UHFFFAOYSA-N
XLogP9.54
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.91
LogP ≤ 59.54
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-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate?
The IUPAC name of bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate (CID 10325443) is bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate.
What is the SMILES notation for bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate?
The canonical SMILES for bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate is Cc1cc(CO[Si](C)(C)C(C)(C)C)cc(C)c1OC(=O)Oc1c(C)cc(CO[Si](C)(C)C(C)(C)C)cc1C.
What is the InChIKey of bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate?
The InChIKey is QZXFCASDCYMCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H50O5Si2/c1-21-15-25(19-33-37(11,12)30(5,6)7)16-22(2)27(21)35-29(32)36-28-23(3)17-26(18-24(28)4)20-34-38(13,14)31(8,9)10/h15-18H,19-20H2,1-14H3.
What are the key properties of bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate?
bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate has a molecular weight of 558.91 g/mol, XLogP of 9.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate is sourced from PubChem (CID 10325443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).