3-(1,2-dimethoxyethoxysilyl)propyl prop-2-enoate

C10H20O5Si — CID 173117432

IUPAC3-(1,2-dimethoxyethoxysilyl)propyl prop-2-enoate
SMILESC=CC(=O)OCCC[SiH2]OC(COC)OC
InChIInChI=1S/C10H20O5Si/c1-4-9(11)14-6-5-7-16-15-10(13-3)8-12-2/h4,10H,1,5-8,16H2,2-3H3
InChIKeyOVKKRTBDAZBWBF-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.24
Rot. Bonds10

About 3-(1,2-dimethoxyethoxysilyl)propyl prop-2-enoate

3-(1,2-dimethoxyethoxysilyl)propyl prop-2-enoate (PubChem CID 173117432) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-(1,2-dimethoxyethoxysilyl)propyl prop-2-enoate.

Molecular Properties

Compound Name3-(1,2-dimethoxyethoxysilyl)propyl prop-2-enoate
PubChem CID173117432
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name3-(1,2-dimethoxyethoxysilyl)propyl prop-2-enoate
SMILESC=CC(=O)OCCC[SiH2]OC(COC)OC
InChIInChI=1S/C10H20O5Si/c1-4-9(11)14-6-5-7-16-15-10(13-3)8-12-2/h4,10H,1,5-8,16H2,2-3H3
InChIKeyOVKKRTBDAZBWBF-UHFFFAOYSA-N
XLogP0.24
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.24
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

5-(2,2-dimethoxyethylsilyl)pentyl prop-2-enoate
CID 154270296
dec-9-enyl(1,2-dimethoxyethoxy)silane
CID 123848895
3-[bis(triethylsilyloxy)methoxysilyl]propyl prop-2-enoate
CID 152765382
6-methoxysilylhexyl prop-2-enoate
CID 150247885
4-methoxybutyl prop-2-enoate
CID 22321356
1,2-dimethoxyethoxy(undecyl)silane
CID 174052564
4,4-bis(2-methoxyethoxy)butyl prop-2-enoate
CID 87318411
3-ethoxysilylpropyl prop-2-enoate;methyl 2-methylprop-2-enoate
CID 174956610
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
3-ethoxysilylpropyl prop-2-enoate;triethoxysilane
CID 157454535

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dimethoxyethoxysilyl)propyl prop-2-enoate?
The IUPAC name of 3-(1,2-dimethoxyethoxysilyl)propyl prop-2-enoate (CID 173117432) is 3-(1,2-dimethoxyethoxysilyl)propyl prop-2-enoate.
What is the SMILES notation for 3-(1,2-dimethoxyethoxysilyl)propyl prop-2-enoate?
The canonical SMILES for 3-(1,2-dimethoxyethoxysilyl)propyl prop-2-enoate is C=CC(=O)OCCC[SiH2]OC(COC)OC.
What is the InChIKey of 3-(1,2-dimethoxyethoxysilyl)propyl prop-2-enoate?
The InChIKey is OVKKRTBDAZBWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-4-9(11)14-6-5-7-16-15-10(13-3)8-12-2/h4,10H,1,5-8,16H2,2-3H3.
What are the key properties of 3-(1,2-dimethoxyethoxysilyl)propyl prop-2-enoate?
3-(1,2-dimethoxyethoxysilyl)propyl prop-2-enoate has a molecular weight of 248.35 g/mol, XLogP of 0.24, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dimethoxyethoxysilyl)propyl prop-2-enoate is sourced from PubChem (CID 173117432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).