ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate

C25H36O3Si — CID 162445089

IUPACethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate
SMILESCCOC(=O)CCC(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36O3Si/c1-7-27-23(26)18-19-25(5,6)20-28-29(24(2,3)4,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17H,7,18-20H2,1-6H3
InChIKeyPLBVSWBIHJQJMQ-UHFFFAOYSA-N
MW412.65 g/mol
LogP4.93
Rot. Bonds9

About ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate

ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate (PubChem CID 162445089) has the molecular formula C25H36O3Si and a molecular weight of 412.65 g/mol. Its IUPAC name is ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate.

Molecular Properties

Compound Nameethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate
PubChem CID162445089
Molecular FormulaC25H36O3Si
Molecular Weight412.65 g/mol
Exact Mass412.24
IUPAC Nameethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate
SMILESCCOC(=O)CCC(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36O3Si/c1-7-27-23(26)18-19-25(5,6)20-28-29(24(2,3)4,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17H,7,18-20H2,1-6H3
InChIKeyPLBVSWBIHJQJMQ-UHFFFAOYSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.65
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate
CID 140759715
cis-ethyl (1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carboxylate
CID 131735737
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-4-cyanobutanoate
CID 11718177
ethyl (2R,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 101265935
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate
CID 155592823
[tert-butyl(diphenyl)silyl] butanoate
CID 91802630
8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-fluorooctan-2-one
CID 142348320
ethyl 2-[(2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-4-phenylpyrrolidin-3-yl]acetate
CID 15408492
ethyl 2-[(2S,3S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-4-phenylpyrrolidin-3-yl]acetate
CID 10940237
ethyl 2-[(2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-4-phenylpyrrolidin-3-yl]acetate
CID 15408493
ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorocyclopropane-1-carboxylate
CID 174055534

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate?
The IUPAC name of ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate (CID 162445089) is ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate.
What is the SMILES notation for ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate?
The canonical SMILES for ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate is CCOC(=O)CCC(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate?
The InChIKey is PLBVSWBIHJQJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O3Si/c1-7-27-23(26)18-19-25(5,6)20-28-29(24(2,3)4,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17H,7,18-20H2,1-6H3.
What are the key properties of ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate?
ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate has a molecular weight of 412.65 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate is sourced from PubChem (CID 162445089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).