2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate

C23H54O7Si5 — CID 86278707

IUPAC2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C23H54O7Si5/c1-14-15-20-31(4,5)27-33(8,9)29-35(12,13)30-34(10,11)28-32(6,7)21-16-17-25-18-19-26-23(24)22(2)3/h2,14-21H2,1,3-13H3
InChIKeyNEWDMEQZRLPOKM-UHFFFAOYSA-N
MW583.11 g/mol
LogP6.89
Rot. Bonds19

About 2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate

2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate (PubChem CID 86278707) has the molecular formula C23H54O7Si5 and a molecular weight of 583.11 g/mol. Its IUPAC name is 2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate
PubChem CID86278707
Molecular FormulaC23H54O7Si5
Molecular Weight583.11 g/mol
Exact Mass582.27
IUPAC Name2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C23H54O7Si5/c1-14-15-20-31(4,5)27-33(8,9)29-35(12,13)30-34(10,11)28-32(6,7)21-16-17-25-18-19-26-23(24)22(2)3/h2,14-21H2,1,3-13H3
InChIKeyNEWDMEQZRLPOKM-UHFFFAOYSA-N
XLogP6.89
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.11
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate (CID 86278707) is 2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC.
What is the InChIKey of 2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is NEWDMEQZRLPOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H54O7Si5/c1-14-15-20-31(4,5)27-33(8,9)29-35(12,13)30-34(10,11)28-32(6,7)21-16-17-25-18-19-26-23(24)22(2)3/h2,14-21H2,1,3-13H3.
What are the key properties of 2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate?
2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 583.11 g/mol, XLogP of 6.89, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 86278707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).