2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate

C27H58O10Si2 — CID 58695535

IUPAC2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate
SMILESCCO[Si](CCCOCC(COC(=O)C(C)(C)CC)OCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C27H58O10Si2/c1-10-27(8,9)26(28)31-24-25(30-20-18-22-39(35-14-5,36-15-6)37-16-7)23-29-19-17-21-38(32-11-2,33-12-3)34-13-4/h25H,10-24H2,1-9H3
InChIKeyFLEJRKRMDAUAND-UHFFFAOYSA-N
MW598.92 g/mol
LogP5.24
Rot. Bonds27

About 2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate

2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate (PubChem CID 58695535) has the molecular formula C27H58O10Si2 and a molecular weight of 598.92 g/mol. Its IUPAC name is 2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate
PubChem CID58695535
Molecular FormulaC27H58O10Si2
Molecular Weight598.92 g/mol
Exact Mass598.36
IUPAC Name2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate
SMILESCCO[Si](CCCOCC(COC(=O)C(C)(C)CC)OCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C27H58O10Si2/c1-10-27(8,9)26(28)31-24-25(30-20-18-22-39(35-14-5,36-15-6)37-16-7)23-29-19-17-21-38(32-11-2,33-12-3)34-13-4/h25H,10-24H2,1-9H3
InChIKeyFLEJRKRMDAUAND-UHFFFAOYSA-N
XLogP5.24
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.92
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate
CID 58695545
2,2-dimethylbutanoic acid;methane;3-triethoxysilylpropyl 2,2-dimethylbutanoate
CID 158924041
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
3-amino-4-methyl-3-propan-2-yl-1-(3-triethoxysilylpropoxy)pentan-2-ol
CID 144747222
2-(2-methoxybutoxy)ethyl 2,2-dimethylbutanoate
CID 177277329
2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate
CID 89127071
2-ethoxypropyl 2,2-dimethylbutanoate
CID 177277307
triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
CID 90147860
4-triethoxysilylbutyl 2-bromo-2-methylpropanoate
CID 71424824
[2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate
CID 59620749
(3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate
CID 134215746
3-(3-triethoxysilylpropoxy)but-3-en-2-one
CID 59428530

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate?
The IUPAC name of 2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate (CID 58695535) is 2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate?
The canonical SMILES for 2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate is CCO[Si](CCCOCC(COC(=O)C(C)(C)CC)OCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate?
The InChIKey is FLEJRKRMDAUAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58O10Si2/c1-10-27(8,9)26(28)31-24-25(30-20-18-22-39(35-14-5,36-15-6)37-16-7)23-29-19-17-21-38(32-11-2,33-12-3)34-13-4/h25H,10-24H2,1-9H3.
What are the key properties of 2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate?
2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate has a molecular weight of 598.92 g/mol, XLogP of 5.24, 27 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate is sourced from PubChem (CID 58695535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).