2-[2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetyl]oxyethyl 2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetate

C36H62O10Si6 — CID 20801349

IUPAC2-[2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetyl]oxyethyl 2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetate
SMILESC[Si](C)(C)O[Si](C)(CCc1ccccc1C(=O)C(=O)OCCOC(=O)C(=O)c1ccccc1CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C36H62O10Si6/c1-47(2,3)43-51(13,44-48(4,5)6)27-23-29-19-15-17-21-31(29)33(37)35(39)41-25-26-42-36(40)34(38)32-22-18-16-20-30(32)24-28-52(14,45-49(7,8)9)46-50(10,11)12/h15-22H,23-28H2,1-14H3
InChIKeyJMDBPGPMOKKEBP-UHFFFAOYSA-N
MW823.40 g/mol
LogP8.47
Rot. Bonds21

About 2-[2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetyl]oxyethyl 2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetate

2-[2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetyl]oxyethyl 2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetate (PubChem CID 20801349) has the molecular formula C36H62O10Si6 and a molecular weight of 823.40 g/mol. Its IUPAC name is 2-[2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetyl]oxyethyl 2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetate.

Molecular Properties

Compound Name2-[2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetyl]oxyethyl 2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetate
PubChem CID20801349
Molecular FormulaC36H62O10Si6
Molecular Weight823.40 g/mol
Exact Mass822.30
IUPAC Name2-[2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetyl]oxyethyl 2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetate
SMILESC[Si](C)(C)O[Si](C)(CCc1ccccc1C(=O)C(=O)OCCOC(=O)C(=O)c1ccccc1CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C36H62O10Si6/c1-47(2,3)43-51(13,44-48(4,5)6)27-23-29-19-15-17-21-31(29)33(37)35(39)41-25-26-42-36(40)34(38)32-22-18-16-20-30(32)24-28-52(14,45-49(7,8)9)46-50(10,11)12/h15-22H,23-28H2,1-14H3
InChIKeyJMDBPGPMOKKEBP-UHFFFAOYSA-N
XLogP8.47
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.40
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetyl]oxyethyl 2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetyl]oxyethyl 2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetate?
The IUPAC name of 2-[2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetyl]oxyethyl 2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetate (CID 20801349) is 2-[2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetyl]oxyethyl 2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetate.
What is the SMILES notation for 2-[2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetyl]oxyethyl 2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetate?
The canonical SMILES for 2-[2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetyl]oxyethyl 2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetate is C[Si](C)(C)O[Si](C)(CCc1ccccc1C(=O)C(=O)OCCOC(=O)C(=O)c1ccccc1CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-[2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetyl]oxyethyl 2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetate?
The InChIKey is JMDBPGPMOKKEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62O10Si6/c1-47(2,3)43-51(13,44-48(4,5)6)27-23-29-19-15-17-21-31(29)33(37)35(39)41-25-26-42-36(40)34(38)32-22-18-16-20-30(32)24-28-52(14,45-49(7,8)9)46-50(10,11)12/h15-22H,23-28H2,1-14H3.
What are the key properties of 2-[2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetyl]oxyethyl 2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetate?
2-[2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetyl]oxyethyl 2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetate has a molecular weight of 823.40 g/mol, XLogP of 8.47, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetyl]oxyethyl 2-[2-[2-[methyl-bis(trimethylsilyloxy)silyl]ethyl]phenyl]-2-oxoacetate is sourced from PubChem (CID 20801349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).