trimethylsilyl 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate

C22H56O6Si6 — CID 20588943

IUPACtrimethylsilyl 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate
SMILESCCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C22H56O6Si6/c1-15-16-20-34(14,27-32(11,12)25-30(5,6)7)28-33(13,26-31(8,9)10)21-18-17-19-22(23)24-29(2,3)4/h15-21H2,1-14H3
InChIKeyGEVWZOUWCKDTNC-UHFFFAOYSA-N
MW585.20 g/mol
LogP7.92
Rot. Bonds17

About trimethylsilyl 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate

trimethylsilyl 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate (PubChem CID 20588943) has the molecular formula C22H56O6Si6 and a molecular weight of 585.20 g/mol. Its IUPAC name is trimethylsilyl 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate.

Molecular Properties

Compound Nametrimethylsilyl 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate
PubChem CID20588943
Molecular FormulaC22H56O6Si6
Molecular Weight585.20 g/mol
Exact Mass584.27
IUPAC Nametrimethylsilyl 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate
SMILESCCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C22H56O6Si6/c1-15-16-20-34(14,27-32(11,12)25-30(5,6)7)28-33(13,26-31(8,9)10)21-18-17-19-22(23)24-29(2,3)4/h15-21H2,1-14H3
InChIKeyGEVWZOUWCKDTNC-UHFFFAOYSA-N
XLogP7.92
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.20
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Valeric acid, trimethylsilyl ester
CID 520262
tert-Butyl(dimethyl)silyl pentanoate
CID 528100
Pentanoic acid, triethylsilyl ester
CID 604415
Pentanoic acid, tripropylsilyl ester
CID 611964
Bis[tert-butyl(dimethyl)silyl] pentanedioate
CID 552518
Hexanedioic acid, bis(tert-butyldimethylsilyl) ester
CID 528567
[Ethyl(dimethyl)silyl] pentanoate
CID 554763
Pentanoic acid, triisopropylsilyl ester
CID 611951
Butanoic acid, tributylsilyl ester
CID 615215
Pentanoic acid, tributylsilyl ester
CID 618157
[Tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
Ethyl 5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate
CID 135063543

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate?
The IUPAC name of trimethylsilyl 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate (CID 20588943) is trimethylsilyl 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate.
What is the SMILES notation for trimethylsilyl 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate?
The canonical SMILES for trimethylsilyl 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate is CCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate?
The InChIKey is GEVWZOUWCKDTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H56O6Si6/c1-15-16-20-34(14,27-32(11,12)25-30(5,6)7)28-33(13,26-31(8,9)10)21-18-17-19-22(23)24-29(2,3)4/h15-21H2,1-14H3.
What are the key properties of trimethylsilyl 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate?
trimethylsilyl 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate has a molecular weight of 585.20 g/mol, XLogP of 7.92, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate is sourced from PubChem (CID 20588943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).