4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate

C19H32O3Si — CID 11688619

IUPAC4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
SMILESCC(C)(C)[Si](C)(C)OCCCCOC(=O)CCc1ccccc1
InChIInChI=1S/C19H32O3Si/c1-19(2,3)23(4,5)22-16-10-9-15-21-18(20)14-13-17-11-7-6-8-12-17/h6-8,11-12H,9-10,13-16H2,1-5H3
InChIKeyIUTCOLCYWJSCQX-UHFFFAOYSA-N
MW336.55 g/mol
LogP4.96
Rot. Bonds9

About 4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate

4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate (PubChem CID 11688619) has the molecular formula C19H32O3Si and a molecular weight of 336.55 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
PubChem CID11688619
Molecular FormulaC19H32O3Si
Molecular Weight336.55 g/mol
Exact Mass336.21
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
SMILESCC(C)(C)[Si](C)(C)OCCCCOC(=O)CCc1ccccc1
InChIInChI=1S/C19H32O3Si/c1-19(2,3)23(4,5)22-16-10-9-15-21-18(20)14-13-17-11-7-6-8-12-17/h6-8,11-12H,9-10,13-16H2,1-5H3
InChIKeyIUTCOLCYWJSCQX-UHFFFAOYSA-N
XLogP4.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea
CID 155933037
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate
CID 102575732
8-methylnonyl 3-phenylpropanoate
CID 129279386
7-[tert-butyl(dimethyl)silyl]oxy-1-phenylhept-1-yn-3-one
CID 46848785
4-phenylbutyl butanoate
CID 59678642
3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate
CID 177244740
benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate
CID 156621112
bis(3-phenylpropyl) hexanedioate
CID 59854363
2,6-ditert-butylphenol;octadecyl 3-phenylpropanoate
CID 22360656
4,4,5,5,5-pentafluoropentyl 3-phenylpropanoate
CID 2238084
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate (CID 11688619) is 4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate is CC(C)(C)[Si](C)(C)OCCCCOC(=O)CCc1ccccc1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate?
The InChIKey is IUTCOLCYWJSCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3Si/c1-19(2,3)23(4,5)22-16-10-9-15-21-18(20)14-13-17-11-7-6-8-12-17/h6-8,11-12H,9-10,13-16H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate?
4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate has a molecular weight of 336.55 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate is sourced from PubChem (CID 11688619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).