benzyl 4-[[dimethyl(4-phenylbutyl)silyl]oxy-dimethylsilyl]butanoate

C25H38O3Si2 — CID 140798885

IUPACbenzyl 4-[[dimethyl(4-phenylbutyl)silyl]oxy-dimethylsilyl]butanoate
SMILESC[Si](C)(CCCCc1ccccc1)O[Si](C)(C)CCCC(=O)OCc1ccccc1
InChIInChI=1S/C25H38O3Si2/c1-29(2,20-12-11-16-23-14-7-5-8-15-23)28-30(3,4)21-13-19-25(26)27-22-24-17-9-6-10-18-24/h5-10,14-15,17-18H,11-13,16,19-22H2,1-4H3
InChIKeyLSHBUKBWSGAXIW-UHFFFAOYSA-N
MW442.75 g/mol
LogP6.96
Rot. Bonds13

About benzyl 4-[[dimethyl(4-phenylbutyl)silyl]oxy-dimethylsilyl]butanoate

benzyl 4-[[dimethyl(4-phenylbutyl)silyl]oxy-dimethylsilyl]butanoate (PubChem CID 140798885) has the molecular formula C25H38O3Si2 and a molecular weight of 442.75 g/mol. Its IUPAC name is benzyl 4-[[dimethyl(4-phenylbutyl)silyl]oxy-dimethylsilyl]butanoate.

Molecular Properties

Compound Namebenzyl 4-[[dimethyl(4-phenylbutyl)silyl]oxy-dimethylsilyl]butanoate
PubChem CID140798885
Molecular FormulaC25H38O3Si2
Molecular Weight442.75 g/mol
Exact Mass442.24
IUPAC Namebenzyl 4-[[dimethyl(4-phenylbutyl)silyl]oxy-dimethylsilyl]butanoate
SMILESC[Si](C)(CCCCc1ccccc1)O[Si](C)(C)CCCC(=O)OCc1ccccc1
InChIInChI=1S/C25H38O3Si2/c1-29(2,20-12-11-16-23-14-7-5-8-15-23)28-30(3,4)21-13-19-25(26)27-22-24-17-9-6-10-18-24/h5-10,14-15,17-18H,11-13,16,19-22H2,1-4H3
InChIKeyLSHBUKBWSGAXIW-UHFFFAOYSA-N
XLogP6.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.75
LogP ≤ 56.96
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

benzyl 11-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]undecanoate
CID 176610533
benzyl 4-phenylbutanoate
CID 11961623
4-(4-oxo-4-phenylmethoxybutyl)benzoic acid
CID 101218136
azane;benzyl 3-phenylpropanoate
CID 175136325
(4-ethenylphenyl)methyl 5-phenylpentanoate
CID 102362530
benzyl 5-[4-(dimethoxyphosphorylmethyl)phenyl]pentanoate
CID 57030534
benzyl 4-thiophen-2-ylbutanoate
CID 78759392
benzyl heptadecanoate
CID 522569
benzyl 12-oxotridecanoate
CID 21035822
benzyl 4-aminobutanoate;hydrochloride
CID 18707498
benzyl 5-hydroxypentanoate
CID 19788674
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[dimethyl(4-phenylbutyl)silyl]oxy-dimethylsilyl]butanoate?
The IUPAC name of benzyl 4-[[dimethyl(4-phenylbutyl)silyl]oxy-dimethylsilyl]butanoate (CID 140798885) is benzyl 4-[[dimethyl(4-phenylbutyl)silyl]oxy-dimethylsilyl]butanoate.
What is the SMILES notation for benzyl 4-[[dimethyl(4-phenylbutyl)silyl]oxy-dimethylsilyl]butanoate?
The canonical SMILES for benzyl 4-[[dimethyl(4-phenylbutyl)silyl]oxy-dimethylsilyl]butanoate is C[Si](C)(CCCCc1ccccc1)O[Si](C)(C)CCCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-[[dimethyl(4-phenylbutyl)silyl]oxy-dimethylsilyl]butanoate?
The InChIKey is LSHBUKBWSGAXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O3Si2/c1-29(2,20-12-11-16-23-14-7-5-8-15-23)28-30(3,4)21-13-19-25(26)27-22-24-17-9-6-10-18-24/h5-10,14-15,17-18H,11-13,16,19-22H2,1-4H3.
What are the key properties of benzyl 4-[[dimethyl(4-phenylbutyl)silyl]oxy-dimethylsilyl]butanoate?
benzyl 4-[[dimethyl(4-phenylbutyl)silyl]oxy-dimethylsilyl]butanoate has a molecular weight of 442.75 g/mol, XLogP of 6.96, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[dimethyl(4-phenylbutyl)silyl]oxy-dimethylsilyl]butanoate is sourced from PubChem (CID 140798885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).