[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate

C21H28O2Si — CID 22445131

IUPAC[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O2Si/c1-20(2,3)19(22)23-24(21(4,5)6,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16H,1-6H3
InChIKeyVVLAIQIVODOGBH-UHFFFAOYSA-N
MW340.54 g/mol
LogP4.14
Rot. Bonds3

About [tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate

[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate (PubChem CID 22445131) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is [tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
PubChem CID22445131
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Name[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O2Si/c1-20(2,3)19(22)23-24(21(4,5)6,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16H,1-6H3
InChIKeyVVLAIQIVODOGBH-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
(Z)-4-[tert-butyl(diphenyl)silyl]oxy-4-oxobut-2-enoic acid
CID 162310940
[tert-butyl(diphenyl)silyl] butanoate
CID 91802630
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-oxobut-2-enoic acid
CID 174721555
tert-butyl-(1-methoxyethenoxy)-diphenylsilane
CID 10662951
bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate
CID 139812746
[tert-butyl(diphenyl)silyl] pent-4-ynoate
CID 101226817
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
[tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate
CID 11169578
2,3-bis[[tert-butyl(diphenyl)silyl]oxy]-6-oxohept-2-enoic acid
CID 70442473
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 140927189

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate?
The IUPAC name of [tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate (CID 22445131) is [tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate?
The canonical SMILES for [tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate?
The InChIKey is VVLAIQIVODOGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-20(2,3)19(22)23-24(21(4,5)6,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16H,1-6H3.
What are the key properties of [tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate?
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate has a molecular weight of 340.54 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 22445131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).