methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(ethyl-methyl-trimethylsilyloxysilyl)oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate

C25H62O9Si6 — CID 89188318

IUPACmethyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(ethyl-methyl-trimethylsilyloxysilyl)oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate
SMILESCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCOC)O[Si](C)(CCCOCCCC(=O)OC)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C25H62O9Si6/c1-15-38(12,31-36(7,8)9)33-40(14,23-17-20-27-2)34-39(13,32-37(10,11)30-35(4,5)6)24-18-22-29-21-16-19-25(26)28-3/h15-24H2,1-14H3
InChIKeyJLCMISWFCLOWJA-UHFFFAOYSA-N
MW675.28 g/mol
LogP7.07
Rot. Bonds23

About methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(ethyl-methyl-trimethylsilyloxysilyl)oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate

methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(ethyl-methyl-trimethylsilyloxysilyl)oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate (PubChem CID 89188318) has the molecular formula C25H62O9Si6 and a molecular weight of 675.28 g/mol. Its IUPAC name is methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(ethyl-methyl-trimethylsilyloxysilyl)oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate.

Molecular Properties

Compound Namemethyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(ethyl-methyl-trimethylsilyloxysilyl)oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate
PubChem CID89188318
Molecular FormulaC25H62O9Si6
Molecular Weight675.28 g/mol
Exact Mass674.30
IUPAC Namemethyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(ethyl-methyl-trimethylsilyloxysilyl)oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate
SMILESCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCOC)O[Si](C)(CCCOCCCC(=O)OC)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C25H62O9Si6/c1-15-38(12,31-36(7,8)9)33-40(14,23-17-20-27-2)34-39(13,32-37(10,11)30-35(4,5)6)24-18-22-29-21-16-19-25(26)28-3/h15-24H2,1-14H3
InChIKeyJLCMISWFCLOWJA-UHFFFAOYSA-N
XLogP7.07
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.28
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(ethyl-methyl-trimethylsilyloxysilyl)oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate with MolForge

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Related Compounds

Ethyl 4-(diethoxymethylsilyl)butyrate
CID 85265
Diethyl 2,3-bis(trimethylsilyl)butanedioate
CID 21943931
Ethyl(trimethylsilyl) succinate
CID 552373
tert-Butyl(dimethyl)silyl 4-([tert-butyl(dimethyl)silyl]oxy)butanoate
CID 589997
dipropan-2-yl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10665293
Ethyl 4-(t-butyldimethylsilyloxy)-3-[(t-butyldimethyl-silyloxy)methyl]butanoate
CID 129825735
3-Acetoxybutyric acid, trimethylsilyl ester
CID 588576
diethyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10543616
dipropan-2-yl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10807574
diethyl (2S,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10829399
Ethyl 4,4-bis(triethylsilylperoxy)pentanoate
CID 154723345
1,3-Bis-(4-acetoxy-butyl)-1,1,3,3-tetramethyl-disiloxane
CID 12487669

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(ethyl-methyl-trimethylsilyloxysilyl)oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate?
The IUPAC name of methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(ethyl-methyl-trimethylsilyloxysilyl)oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate (CID 89188318) is methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(ethyl-methyl-trimethylsilyloxysilyl)oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate.
What is the SMILES notation for methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(ethyl-methyl-trimethylsilyloxysilyl)oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate?
The canonical SMILES for methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(ethyl-methyl-trimethylsilyloxysilyl)oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate is CC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCOC)O[Si](C)(CCCOCCCC(=O)OC)O[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(ethyl-methyl-trimethylsilyloxysilyl)oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate?
The InChIKey is JLCMISWFCLOWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H62O9Si6/c1-15-38(12,31-36(7,8)9)33-40(14,23-17-20-27-2)34-39(13,32-37(10,11)30-35(4,5)6)24-18-22-29-21-16-19-25(26)28-3/h15-24H2,1-14H3.
What are the key properties of methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(ethyl-methyl-trimethylsilyloxysilyl)oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate?
methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(ethyl-methyl-trimethylsilyloxysilyl)oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate has a molecular weight of 675.28 g/mol, XLogP of 7.07, 23 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-[(ethyl-methyl-trimethylsilyloxysilyl)oxy-(3-methoxypropyl)-methylsilyl]oxy-methylsilyl]propoxy]butanoate is sourced from PubChem (CID 89188318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).