3-dimethoxysilylpropyl but-2-enoate

C9H18O4Si — CID 123850161

IUPAC3-dimethoxysilylpropyl but-2-enoate
SMILESCC=CC(=O)OCCC[SiH](OC)OC
InChIInChI=1S/C9H18O4Si/c1-4-6-9(10)13-7-5-8-14(11-2)12-3/h4,6,14H,5,7-8H2,1-3H3
InChIKeyFHUGBSPFIIEFFZ-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.01
Rot. Bonds7

About 3-dimethoxysilylpropyl but-2-enoate

3-dimethoxysilylpropyl but-2-enoate (PubChem CID 123850161) has the molecular formula C9H18O4Si and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-dimethoxysilylpropyl but-2-enoate.

Molecular Properties

Compound Name3-dimethoxysilylpropyl but-2-enoate
PubChem CID123850161
Molecular FormulaC9H18O4Si
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name3-dimethoxysilylpropyl but-2-enoate
SMILESCC=CC(=O)OCCC[SiH](OC)OC
InChIInChI=1S/C9H18O4Si/c1-4-6-9(10)13-7-5-8-14(11-2)12-3/h4,6,14H,5,7-8H2,1-3H3
InChIKeyFHUGBSPFIIEFFZ-UHFFFAOYSA-N
XLogP1.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

11-trimethoxysilylundecyl but-2-enoate
CID 141363372
hydroxysilane;3-trimethoxysilylpropyl but-2-enoate
CID 174908985
3-triacetyloxysilylpropyl but-2-enoate
CID 57008855
dodecyl (E)-but-2-enoate
CID 5462914
3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate
CID 57318763
3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
CID 141411136
3-[tris(2-methoxyethoxy)silyl]propyl but-2-enoate
CID 57295755
(4,4,5,5-tetrafluoro-8-hydroxyoctyl) but-2-enoate
CID 174343988
3-but-2-enoyloxypropylphosphonous acid
CID 151118739
2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol
CID 87089825
2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate
CID 5385708
4-hydroxypentyl (E)-but-2-enoate
CID 88654107

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxysilylpropyl but-2-enoate?
The IUPAC name of 3-dimethoxysilylpropyl but-2-enoate (CID 123850161) is 3-dimethoxysilylpropyl but-2-enoate.
What is the SMILES notation for 3-dimethoxysilylpropyl but-2-enoate?
The canonical SMILES for 3-dimethoxysilylpropyl but-2-enoate is CC=CC(=O)OCCC[SiH](OC)OC.
What is the InChIKey of 3-dimethoxysilylpropyl but-2-enoate?
The InChIKey is FHUGBSPFIIEFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4Si/c1-4-6-9(10)13-7-5-8-14(11-2)12-3/h4,6,14H,5,7-8H2,1-3H3.
What are the key properties of 3-dimethoxysilylpropyl but-2-enoate?
3-dimethoxysilylpropyl but-2-enoate has a molecular weight of 218.32 g/mol, XLogP of 1.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxysilylpropyl but-2-enoate is sourced from PubChem (CID 123850161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).