3-trimethoxysilylpropyl hexa-2,4-dienoate

C12H22O5Si — CID 76734167

IUPAC3-trimethoxysilylpropyl hexa-2,4-dienoate
SMILESCC=CC=CC(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C12H22O5Si/c1-5-6-7-9-12(13)17-10-8-11-18(14-2,15-3)16-4/h5-7,9H,8,10-11H2,1-4H3
InChIKeyBEEJHAQLEWGNOO-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.93
Rot. Bonds9

About 3-trimethoxysilylpropyl hexa-2,4-dienoate

3-trimethoxysilylpropyl hexa-2,4-dienoate (PubChem CID 76734167) has the molecular formula C12H22O5Si and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-trimethoxysilylpropyl hexa-2,4-dienoate.

Molecular Properties

Compound Name3-trimethoxysilylpropyl hexa-2,4-dienoate
PubChem CID76734167
Molecular FormulaC12H22O5Si
Molecular Weight274.39 g/mol
Exact Mass274.12
IUPAC Name3-trimethoxysilylpropyl hexa-2,4-dienoate
SMILESCC=CC=CC(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C12H22O5Si/c1-5-6-7-9-12(13)17-10-8-11-18(14-2,15-3)16-4/h5-7,9H,8,10-11H2,1-4H3
InChIKeyBEEJHAQLEWGNOO-UHFFFAOYSA-N
XLogP1.93
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.93
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Acryloxypropyltrimethoxysilane
CID 151204
Butyl sorbate
CID 5369076
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-
CID 58361202
(3-Acryloxypropyl)methyldimethoxysilane
CID 2756289
Diethyl muconate, (E,E)-
CID 5369089
3-(Triethoxysilyl)propyl prop-2-enoate
CID 11119352
Bis(3-(trimethoxysilyl)propyl) maleate
CID 6436333
Bis(3-(trimethoxysilyl)propyl) fumarate
CID 6436929
cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester
CID 6328859
Ethene;ethenyl(trimethoxy)silane;ethyl prop-2-enoate
CID 174189
ethyl (E)-4-trimethylsilylbut-2-enoate
CID 13185411
methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate
CID 14175468

Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropyl hexa-2,4-dienoate?
The IUPAC name of 3-trimethoxysilylpropyl hexa-2,4-dienoate (CID 76734167) is 3-trimethoxysilylpropyl hexa-2,4-dienoate.
What is the SMILES notation for 3-trimethoxysilylpropyl hexa-2,4-dienoate?
The canonical SMILES for 3-trimethoxysilylpropyl hexa-2,4-dienoate is CC=CC=CC(=O)OCCC[Si](OC)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropyl hexa-2,4-dienoate?
The InChIKey is BEEJHAQLEWGNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5Si/c1-5-6-7-9-12(13)17-10-8-11-18(14-2,15-3)16-4/h5-7,9H,8,10-11H2,1-4H3.
What are the key properties of 3-trimethoxysilylpropyl hexa-2,4-dienoate?
3-trimethoxysilylpropyl hexa-2,4-dienoate has a molecular weight of 274.39 g/mol, XLogP of 1.93, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropyl hexa-2,4-dienoate is sourced from PubChem (CID 76734167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).