4-[3-[[dipropyl(3-tripropylsilyloxysilylpropyl)silyl]oxymethyl-dipropylsilyl]oxysilylpropyl-dipropylsilyl]oxysilylbutyl prop-2-enoate

C41H94O6Si7 — CID 158221397

IUPAC4-[3-[[dipropyl(3-tripropylsilyloxysilylpropyl)silyl]oxymethyl-dipropylsilyl]oxysilylpropyl-dipropylsilyl]oxysilylbutyl prop-2-enoate
SMILESC=CC(=O)OCCCC[SiH2]O[Si](CCC)(CCC)CCC[SiH2]O[Si](CCC)(CCC)CO[Si](CCC)(CCC)CCC[SiH2]O[Si](CCC)(CCC)CCC
InChIInChI=1S/C41H94O6Si7/c1-11-29-51(30-12-2,38-23-27-49-45-52(31-13-3,32-14-4)33-15-5)44-40-54(36-18-8,37-19-9)47-50-28-24-39-53(34-16-6,35-17-7)46-48-26-22-21-25-43-41(42)20-10/h20H,10-19,21-40,48-50H2,1-9H3
InChIKeyBCRWFIWMLPQGFT-UHFFFAOYSA-N
MW879.80 g/mol
LogP11.86
Rot. Bonds41

About 4-[3-[[dipropyl(3-tripropylsilyloxysilylpropyl)silyl]oxymethyl-dipropylsilyl]oxysilylpropyl-dipropylsilyl]oxysilylbutyl prop-2-enoate

4-[3-[[dipropyl(3-tripropylsilyloxysilylpropyl)silyl]oxymethyl-dipropylsilyl]oxysilylpropyl-dipropylsilyl]oxysilylbutyl prop-2-enoate (PubChem CID 158221397) has the molecular formula C41H94O6Si7 and a molecular weight of 879.80 g/mol. Its IUPAC name is 4-[3-[[dipropyl(3-tripropylsilyloxysilylpropyl)silyl]oxymethyl-dipropylsilyl]oxysilylpropyl-dipropylsilyl]oxysilylbutyl prop-2-enoate.

Molecular Properties

Compound Name4-[3-[[dipropyl(3-tripropylsilyloxysilylpropyl)silyl]oxymethyl-dipropylsilyl]oxysilylpropyl-dipropylsilyl]oxysilylbutyl prop-2-enoate
PubChem CID158221397
Molecular FormulaC41H94O6Si7
Molecular Weight879.80 g/mol
Exact Mass878.54
IUPAC Name4-[3-[[dipropyl(3-tripropylsilyloxysilylpropyl)silyl]oxymethyl-dipropylsilyl]oxysilylpropyl-dipropylsilyl]oxysilylbutyl prop-2-enoate
SMILESC=CC(=O)OCCCC[SiH2]O[Si](CCC)(CCC)CCC[SiH2]O[Si](CCC)(CCC)CO[Si](CCC)(CCC)CCC[SiH2]O[Si](CCC)(CCC)CCC
InChIInChI=1S/C41H94O6Si7/c1-11-29-51(30-12-2,38-23-27-49-45-52(31-13-3,32-14-4)33-15-5)44-40-54(36-18-8,37-19-9)47-50-28-24-39-53(34-16-6,35-17-7)46-48-26-22-21-25-43-41(42)20-10/h20H,10-19,21-40,48-50H2,1-9H3
InChIKeyBCRWFIWMLPQGFT-UHFFFAOYSA-N
XLogP11.86
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds41
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.80
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze 4-[3-[[dipropyl(3-tripropylsilyloxysilylpropyl)silyl]oxymethyl-dipropylsilyl]oxysilylpropyl-dipropylsilyl]oxysilylbutyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate
CID 150064370
6-methoxysilylhexyl prop-2-enoate
CID 150247885
3-[butoxy(diethyl)silyl]propyl prop-2-enoate
CID 152603215
3-[3-prop-2-enoyloxypropyl(dipropyl)silyl]propyl prop-2-enoate
CID 87228396
pentyl prop-2-enoate;prop-2-enamide
CID 175210545
(ethoxy-ethyl-propylsilyl)methyl prop-2-enoate
CID 141190333
3-[diethyl(silyloxy)silyl]propyl prop-2-enoate
CID 173150485
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
hexyl prop-2-enoate
CID 17259
pentatriacontyl prop-2-enoate
CID 141309454

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[dipropyl(3-tripropylsilyloxysilylpropyl)silyl]oxymethyl-dipropylsilyl]oxysilylpropyl-dipropylsilyl]oxysilylbutyl prop-2-enoate?
The IUPAC name of 4-[3-[[dipropyl(3-tripropylsilyloxysilylpropyl)silyl]oxymethyl-dipropylsilyl]oxysilylpropyl-dipropylsilyl]oxysilylbutyl prop-2-enoate (CID 158221397) is 4-[3-[[dipropyl(3-tripropylsilyloxysilylpropyl)silyl]oxymethyl-dipropylsilyl]oxysilylpropyl-dipropylsilyl]oxysilylbutyl prop-2-enoate.
What is the SMILES notation for 4-[3-[[dipropyl(3-tripropylsilyloxysilylpropyl)silyl]oxymethyl-dipropylsilyl]oxysilylpropyl-dipropylsilyl]oxysilylbutyl prop-2-enoate?
The canonical SMILES for 4-[3-[[dipropyl(3-tripropylsilyloxysilylpropyl)silyl]oxymethyl-dipropylsilyl]oxysilylpropyl-dipropylsilyl]oxysilylbutyl prop-2-enoate is C=CC(=O)OCCCC[SiH2]O[Si](CCC)(CCC)CCC[SiH2]O[Si](CCC)(CCC)CO[Si](CCC)(CCC)CCC[SiH2]O[Si](CCC)(CCC)CCC.
What is the InChIKey of 4-[3-[[dipropyl(3-tripropylsilyloxysilylpropyl)silyl]oxymethyl-dipropylsilyl]oxysilylpropyl-dipropylsilyl]oxysilylbutyl prop-2-enoate?
The InChIKey is BCRWFIWMLPQGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H94O6Si7/c1-11-29-51(30-12-2,38-23-27-49-45-52(31-13-3,32-14-4)33-15-5)44-40-54(36-18-8,37-19-9)47-50-28-24-39-53(34-16-6,35-17-7)46-48-26-22-21-25-43-41(42)20-10/h20H,10-19,21-40,48-50H2,1-9H3.
What are the key properties of 4-[3-[[dipropyl(3-tripropylsilyloxysilylpropyl)silyl]oxymethyl-dipropylsilyl]oxysilylpropyl-dipropylsilyl]oxysilylbutyl prop-2-enoate?
4-[3-[[dipropyl(3-tripropylsilyloxysilylpropyl)silyl]oxymethyl-dipropylsilyl]oxysilylpropyl-dipropylsilyl]oxysilylbutyl prop-2-enoate has a molecular weight of 879.80 g/mol, XLogP of 11.86, 41 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[dipropyl(3-tripropylsilyloxysilylpropyl)silyl]oxymethyl-dipropylsilyl]oxysilylpropyl-dipropylsilyl]oxysilylbutyl prop-2-enoate is sourced from PubChem (CID 158221397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).