ethyl 2-methylidene-5-trimethoxysilylpentanoate

C11H22O5Si — CID 25168029

IUPACethyl 2-methylidene-5-trimethoxysilylpentanoate
SMILESC=C(CCC[Si](OC)(OC)OC)C(=O)OCC
InChIInChI=1S/C11H22O5Si/c1-6-16-11(12)10(2)8-7-9-17(13-3,14-4)15-5/h2,6-9H2,1,3-5H3
InChIKeyHFTMFBNNLUHWMO-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.76
Rot. Bonds9

About ethyl 2-methylidene-5-trimethoxysilylpentanoate

ethyl 2-methylidene-5-trimethoxysilylpentanoate (PubChem CID 25168029) has the molecular formula C11H22O5Si and a molecular weight of 262.38 g/mol. Its IUPAC name is ethyl 2-methylidene-5-trimethoxysilylpentanoate.

Molecular Properties

Compound Nameethyl 2-methylidene-5-trimethoxysilylpentanoate
PubChem CID25168029
Molecular FormulaC11H22O5Si
Molecular Weight262.38 g/mol
Exact Mass262.12
IUPAC Nameethyl 2-methylidene-5-trimethoxysilylpentanoate
SMILESC=C(CCC[Si](OC)(OC)OC)C(=O)OCC
InChIInChI=1S/C11H22O5Si/c1-6-16-11(12)10(2)8-7-9-17(13-3,14-4)15-5/h2,6-9H2,1,3-5H3
InChIKeyHFTMFBNNLUHWMO-UHFFFAOYSA-N
XLogP1.76
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylidene-5-trimethoxysilylpentanoate?
The IUPAC name of ethyl 2-methylidene-5-trimethoxysilylpentanoate (CID 25168029) is ethyl 2-methylidene-5-trimethoxysilylpentanoate.
What is the SMILES notation for ethyl 2-methylidene-5-trimethoxysilylpentanoate?
The canonical SMILES for ethyl 2-methylidene-5-trimethoxysilylpentanoate is C=C(CCC[Si](OC)(OC)OC)C(=O)OCC.
What is the InChIKey of ethyl 2-methylidene-5-trimethoxysilylpentanoate?
The InChIKey is HFTMFBNNLUHWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5Si/c1-6-16-11(12)10(2)8-7-9-17(13-3,14-4)15-5/h2,6-9H2,1,3-5H3.
What are the key properties of ethyl 2-methylidene-5-trimethoxysilylpentanoate?
ethyl 2-methylidene-5-trimethoxysilylpentanoate has a molecular weight of 262.38 g/mol, XLogP of 1.76, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylidene-5-trimethoxysilylpentanoate is sourced from PubChem (CID 25168029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).