3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate

C45H92O3Si2 — CID 21305389

IUPAC3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)O[Si](C)(C)C
InChIInChI=1S/C45H92O3Si2/c1-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-42-50(48-49(4,5)6,44-40-41-47-45(46)9-3)43-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-2/h9H,3,7-8,10-44H2,1-2,4-6H3
InChIKeyUGUZYQHBFWHGGI-UHFFFAOYSA-N
MW737.40 g/mol
LogP16.43
Rot. Bonds41

About 3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate

3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate (PubChem CID 21305389) has the molecular formula C45H92O3Si2 and a molecular weight of 737.40 g/mol. Its IUPAC name is 3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate
PubChem CID21305389
Molecular FormulaC45H92O3Si2
Molecular Weight737.40 g/mol
Exact Mass736.66
IUPAC Name3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)O[Si](C)(C)C
InChIInChI=1S/C45H92O3Si2/c1-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-42-50(48-49(4,5)6,44-40-41-47-45(46)9-3)43-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-2/h9H,3,7-8,10-44H2,1-2,4-6H3
InChIKeyUGUZYQHBFWHGGI-UHFFFAOYSA-N
XLogP16.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds41
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.40
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[dioctadecyl(trimethylsilyloxy)silyl]propyl 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

pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
trioctylsilyl 4-prop-2-enoyloxybutanoate
CID 141076015
azane;octyl prop-2-enoate
CID 175482602
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate
CID 150064370
3-[butoxy(diethyl)silyl]propyl prop-2-enoate
CID 152603215

Frequently Asked Questions

What is the IUPAC name of 3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate?
The IUPAC name of 3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate (CID 21305389) is 3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate?
The canonical SMILES for 3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate is C=CC(=O)OCCC[Si](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)O[Si](C)(C)C.
What is the InChIKey of 3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate?
The InChIKey is UGUZYQHBFWHGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H92O3Si2/c1-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-42-50(48-49(4,5)6,44-40-41-47-45(46)9-3)43-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-2/h9H,3,7-8,10-44H2,1-2,4-6H3.
What are the key properties of 3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate?
3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate has a molecular weight of 737.40 g/mol, XLogP of 16.43, 41 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dioctadecyl(trimethylsilyloxy)silyl]propyl prop-2-enoate is sourced from PubChem (CID 21305389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).