3-[bis(triethylsilyloxy)methoxysilyl]propyl prop-2-enoate

C19H42O5Si3 — CID 152765382

IUPAC3-[bis(triethylsilyloxy)methoxysilyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[SiH2]OC(O[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C19H42O5Si3/c1-8-18(20)21-16-15-17-25-22-19(23-26(9-2,10-3)11-4)24-27(12-5,13-6)14-7/h8,19H,1,9-17,25H2,2-7H3
InChIKeyXNFRHMWRNXOWAI-UHFFFAOYSA-N
MW434.80 g/mol
LogP4.95
Rot. Bonds17

About 3-[bis(triethylsilyloxy)methoxysilyl]propyl prop-2-enoate

3-[bis(triethylsilyloxy)methoxysilyl]propyl prop-2-enoate (PubChem CID 152765382) has the molecular formula C19H42O5Si3 and a molecular weight of 434.80 g/mol. Its IUPAC name is 3-[bis(triethylsilyloxy)methoxysilyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[bis(triethylsilyloxy)methoxysilyl]propyl prop-2-enoate
PubChem CID152765382
Molecular FormulaC19H42O5Si3
Molecular Weight434.80 g/mol
Exact Mass434.23
IUPAC Name3-[bis(triethylsilyloxy)methoxysilyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[SiH2]OC(O[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C19H42O5Si3/c1-8-18(20)21-16-15-17-25-22-19(23-26(9-2,10-3)11-4)24-27(12-5,13-6)14-7/h8,19H,1,9-17,25H2,2-7H3
InChIKeyXNFRHMWRNXOWAI-UHFFFAOYSA-N
XLogP4.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.80
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(4R)-4-triethylsilyloxypentyl] prop-2-enoate
CID 141157496
3-(1,2-dimethoxyethoxysilyl)propyl prop-2-enoate
CID 173117432
3-[diethyl(methoxy)silyl]propyl prop-2-enoate
CID 18331018
3-[diethyl(silyloxy)silyl]propyl prop-2-enoate
CID 173150485
2-triethylsilyloxyethyl prop-2-enoate
CID 54487061
6-methoxysilylhexyl prop-2-enoate
CID 150247885
2-[ethoxy(diethyl)silyl]ethyl prop-2-enoate
CID 140668278
3-ethoxysilylpropyl prop-2-enoate;triethoxysilane
CID 157454535
3-[butoxy(diethyl)silyl]propyl prop-2-enoate
CID 152603215
3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate
CID 141179132
3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate
CID 174956610
pentyl prop-2-enoate;prop-2-enamide
CID 175210545

Frequently Asked Questions

What is the IUPAC name of 3-[bis(triethylsilyloxy)methoxysilyl]propyl prop-2-enoate?
The IUPAC name of 3-[bis(triethylsilyloxy)methoxysilyl]propyl prop-2-enoate (CID 152765382) is 3-[bis(triethylsilyloxy)methoxysilyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[bis(triethylsilyloxy)methoxysilyl]propyl prop-2-enoate?
The canonical SMILES for 3-[bis(triethylsilyloxy)methoxysilyl]propyl prop-2-enoate is C=CC(=O)OCCC[SiH2]OC(O[Si](CC)(CC)CC)O[Si](CC)(CC)CC.
What is the InChIKey of 3-[bis(triethylsilyloxy)methoxysilyl]propyl prop-2-enoate?
The InChIKey is XNFRHMWRNXOWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O5Si3/c1-8-18(20)21-16-15-17-25-22-19(23-26(9-2,10-3)11-4)24-27(12-5,13-6)14-7/h8,19H,1,9-17,25H2,2-7H3.
What are the key properties of 3-[bis(triethylsilyloxy)methoxysilyl]propyl prop-2-enoate?
3-[bis(triethylsilyloxy)methoxysilyl]propyl prop-2-enoate has a molecular weight of 434.80 g/mol, XLogP of 4.95, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(triethylsilyloxy)methoxysilyl]propyl prop-2-enoate is sourced from PubChem (CID 152765382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).