[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate

C21H38O3Si2 — CID 528592

IUPAC[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C(Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O3Si2/c1-20(2,3)25(7,8)23-18(16-17-14-12-11-13-15-17)19(22)24-26(9,10)21(4,5)6/h11-15,18H,16H2,1-10H3
InChIKeyJFLMDZUHGCHDPN-UHFFFAOYSA-N
MW394.70 g/mol
LogP6.17
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate

[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate (PubChem CID 528592) has the molecular formula C21H38O3Si2 and a molecular weight of 394.70 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate
PubChem CID528592
Molecular FormulaC21H38O3Si2
Molecular Weight394.70 g/mol
Exact Mass394.24
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C(Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O3Si2/c1-20(2,3)25(7,8)23-18(16-17-14-12-11-13-15-17)19(22)24-26(9,10)21(4,5)6/h11-15,18H,16H2,1-10H3
InChIKeyJFLMDZUHGCHDPN-UHFFFAOYSA-N
XLogP6.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.70
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate (CID 528592) is [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate is CC(C)(C)[Si](C)(C)OC(=O)C(Cc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate?
The InChIKey is JFLMDZUHGCHDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O3Si2/c1-20(2,3)25(7,8)23-18(16-17-14-12-11-13-15-17)19(22)24-26(9,10)21(4,5)6/h11-15,18H,16H2,1-10H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate?
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate has a molecular weight of 394.70 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate is sourced from PubChem (CID 528592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).