[4-[2,4-dimethyl-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-2-yl]oxy-2-methylbutan-2-yl] 2-methylprop-2-enoate

C23H50O5Si3 — CID 91034972

IUPAC[4-[2,4-dimethyl-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-2-yl]oxy-2-methylbutan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)CCOC(C)(C)CC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C23H50O5Si3/c1-19(2)21(24)26-22(4,5)15-16-25-23(6,7)17-20(3)18-31(14,27-29(8,9)10)28-30(11,12)13/h20H,1,15-18H2,2-14H3
InChIKeyYIPFFNGPHNTTHV-UHFFFAOYSA-N
MW490.91 g/mol
LogP6.87
Rot. Bonds14

About [4-[2,4-dimethyl-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-2-yl]oxy-2-methylbutan-2-yl] 2-methylprop-2-enoate

[4-[2,4-dimethyl-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-2-yl]oxy-2-methylbutan-2-yl] 2-methylprop-2-enoate (PubChem CID 91034972) has the molecular formula C23H50O5Si3 and a molecular weight of 490.91 g/mol. Its IUPAC name is [4-[2,4-dimethyl-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-2-yl]oxy-2-methylbutan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[2,4-dimethyl-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-2-yl]oxy-2-methylbutan-2-yl] 2-methylprop-2-enoate
PubChem CID91034972
Molecular FormulaC23H50O5Si3
Molecular Weight490.91 g/mol
Exact Mass490.30
IUPAC Name[4-[2,4-dimethyl-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-2-yl]oxy-2-methylbutan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)CCOC(C)(C)CC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C23H50O5Si3/c1-19(2)21(24)26-22(4,5)15-16-25-23(6,7)17-20(3)18-31(14,27-29(8,9)10)28-30(11,12)13/h20H,1,15-18H2,2-14H3
InChIKeyYIPFFNGPHNTTHV-UHFFFAOYSA-N
XLogP6.87
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.91
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate
CID 123706360
[3-[3-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]-3-methylbutoxy]-3-methylbutyl] 2-methylprop-2-enoate
CID 91212399
[2-methyl-4-[2-[4-[2-[4-[2-[3-methyl-3-(2-methylprop-2-enoyloxy)butoxy]propan-2-yl]phenyl]propan-2-yl]phenyl]propan-2-yloxy]butan-2-yl] 2-methylprop-2-enoate
CID 89135330
2,5,5-trimethylhexan-2-yl 2-methylprop-2-enoate
CID 88557517
[2,6-dimethyl-6-(2-methylprop-2-enoyloxy)-4-oxoheptan-2-yl] 2-methylprop-2-enoate
CID 139852007
[2-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]butan-2-yl] 2-methylprop-2-enoate
CID 138631455
[2-hydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate
CID 118855687
[2-methyl-4-[2-[2,4,6-tris(1-phenylethyl)phenyl]propan-2-yloxy]butan-2-yl] 2-methylprop-2-enoate
CID 121306738
[7-methyl-7-(2-methylprop-2-enoyloxy)octan-2-yl] 2-methylprop-2-enoate
CID 22259481
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
[1-(3,5-dimethyl-4-oxohex-5-en-3-yl)oxy-3-ethylpentan-3-yl] 2-methylprop-2-enoate
CID 139548622
dimethyl-[3-methyl-3-(2-methylprop-2-enoyloxy)butoxy]-(2-methylprop-2-enoyloxymethyl)azanium
CID 123399868

Frequently Asked Questions

What is the IUPAC name of [4-[2,4-dimethyl-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-2-yl]oxy-2-methylbutan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [4-[2,4-dimethyl-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-2-yl]oxy-2-methylbutan-2-yl] 2-methylprop-2-enoate (CID 91034972) is [4-[2,4-dimethyl-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-2-yl]oxy-2-methylbutan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[2,4-dimethyl-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-2-yl]oxy-2-methylbutan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[2,4-dimethyl-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-2-yl]oxy-2-methylbutan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)CCOC(C)(C)CC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [4-[2,4-dimethyl-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-2-yl]oxy-2-methylbutan-2-yl] 2-methylprop-2-enoate?
The InChIKey is YIPFFNGPHNTTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O5Si3/c1-19(2)21(24)26-22(4,5)15-16-25-23(6,7)17-20(3)18-31(14,27-29(8,9)10)28-30(11,12)13/h20H,1,15-18H2,2-14H3.
What are the key properties of [4-[2,4-dimethyl-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-2-yl]oxy-2-methylbutan-2-yl] 2-methylprop-2-enoate?
[4-[2,4-dimethyl-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-2-yl]oxy-2-methylbutan-2-yl] 2-methylprop-2-enoate has a molecular weight of 490.91 g/mol, XLogP of 6.87, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,4-dimethyl-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-2-yl]oxy-2-methylbutan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 91034972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).