3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate

C48H110O12Si7 — CID 123329011

IUPAC3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCC[Si](O[SiH](C)C)(O[Si](C)(C)C)O[Si](C)(C)C.CCC(C)(C)C(=O)OCCO[Si](C)(C)C.CCC(C)(C)C(=O)OC[Si](C)(C)C.CCC(C)(C)C(=O)OC[Si](C)(C)C
InChIInChI=1S/C17H42O5Si4.C11H24O3Si.2C10H22O2Si/c1-12-17(2,3)16(18)19-14-13-15-26(20-23(4)5,21-24(6,7)8)22-25(9,10)11;1-7-11(2,3)10(12)13-8-9-14-15(4,5)6;2*1-7-10(2,3)9(11)12-8-13(4,5)6/h23H,12-15H2,1-11H3;7-9H2,1-6H3;2*7-8H2,1-6H3
InChIKeyQOUKHXRJISZMFS-UHFFFAOYSA-N
MW1076.00 g/mol
LogP13.50
Rot. Bonds26

About 3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate

3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate (PubChem CID 123329011) has the molecular formula C48H110O12Si7 and a molecular weight of 1076.00 g/mol. Its IUPAC name is 3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate
PubChem CID123329011
Molecular FormulaC48H110O12Si7
Molecular Weight1076.00 g/mol
Exact Mass1074.64
IUPAC Name3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCC[Si](O[SiH](C)C)(O[Si](C)(C)C)O[Si](C)(C)C.CCC(C)(C)C(=O)OCCO[Si](C)(C)C.CCC(C)(C)C(=O)OC[Si](C)(C)C.CCC(C)(C)C(=O)OC[Si](C)(C)C
InChIInChI=1S/C17H42O5Si4.C11H24O3Si.2C10H22O2Si/c1-12-17(2,3)16(18)19-14-13-15-26(20-23(4)5,21-24(6,7)8)22-25(9,10)11;1-7-11(2,3)10(12)13-8-9-14-15(4,5)6;2*1-7-10(2,3)9(11)12-8-13(4,5)6/h23H,12-15H2,1-11H3;7-9H2,1-6H3;2*7-8H2,1-6H3
InChIKeyQOUKHXRJISZMFS-UHFFFAOYSA-N
XLogP13.50
TPSA142.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001076.00
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate with MolForge

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Related Compounds

tris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate
CID 20708550
3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate
CID 158260593
2,2-dimethylbutanoic acid;methane;3-triethoxysilylpropyl 2,2-dimethylbutanoate
CID 158924041
2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate
CID 90770984
3-aminopropyl 2,2-dimethylbutanoate
CID 88947753
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
3-tritritiooxysilylpropyl 2,2-dimethylbutanoate
CID 140697808
2-(dimethylamino)ethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;3-trimethoxysilylpropyl 2,2-dimethylbutanoate
CID 159089434
3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate
CID 123433875
(4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate
CID 22889670
pentyl 2,2-dimethylbutanoate
CID 59940538
[ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate
CID 140870325

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate?
The IUPAC name of 3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate (CID 123329011) is 3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate?
The canonical SMILES for 3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCC[Si](O[SiH](C)C)(O[Si](C)(C)C)O[Si](C)(C)C.CCC(C)(C)C(=O)OCCO[Si](C)(C)C.CCC(C)(C)C(=O)OC[Si](C)(C)C.CCC(C)(C)C(=O)OC[Si](C)(C)C.
What is the InChIKey of 3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate?
The InChIKey is QOUKHXRJISZMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42O5Si4.C11H24O3Si.2C10H22O2Si/c1-12-17(2,3)16(18)19-14-13-15-26(20-23(4)5,21-24(6,7)8)22-25(9,10)11;1-7-11(2,3)10(12)13-8-9-14-15(4,5)6;2*1-7-10(2,3)9(11)12-8-13(4,5)6/h23H,12-15H2,1-11H3;7-9H2,1-6H3;2*7-8H2,1-6H3.
What are the key properties of 3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate?
3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate has a molecular weight of 1076.00 g/mol, XLogP of 13.50, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylsilyloxy-bis(trimethylsilyloxy)silyl]propyl 2,2-dimethylbutanoate;bis(trimethylsilylmethyl 2,2-dimethylbutanoate);2-trimethylsilyloxyethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 123329011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).