ethenyl 2-methyl-3-silylprop-2-enoate

C6H10O2Si — CID 173461885

IUPACethenyl 2-methyl-3-silylprop-2-enoate
SMILESC=COC(=O)C(C)=C[SiH3]
InChIInChI=1S/C6H10O2Si/c1-3-8-6(7)5(2)4-9/h3-4H,1H2,2,9H3
InChIKeyCDJQWVSZCJIDQE-UHFFFAOYSA-N
MW142.23 g/mol
LogP-0.06
Rot. Bonds2

About ethenyl 2-methyl-3-silylprop-2-enoate

ethenyl 2-methyl-3-silylprop-2-enoate (PubChem CID 173461885) has the molecular formula C6H10O2Si and a molecular weight of 142.23 g/mol. Its IUPAC name is ethenyl 2-methyl-3-silylprop-2-enoate.

Molecular Properties

Compound Nameethenyl 2-methyl-3-silylprop-2-enoate
PubChem CID173461885
Molecular FormulaC6H10O2Si
Molecular Weight142.23 g/mol
Exact Mass142.05
IUPAC Nameethenyl 2-methyl-3-silylprop-2-enoate
SMILESC=COC(=O)C(C)=C[SiH3]
InChIInChI=1S/C6H10O2Si/c1-3-8-6(7)5(2)4-9/h3-4H,1H2,2,9H3
InChIKeyCDJQWVSZCJIDQE-UHFFFAOYSA-N
XLogP-0.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl 2-methyl-3-silylprop-2-enoate?
The IUPAC name of ethenyl 2-methyl-3-silylprop-2-enoate (CID 173461885) is ethenyl 2-methyl-3-silylprop-2-enoate.
What is the SMILES notation for ethenyl 2-methyl-3-silylprop-2-enoate?
The canonical SMILES for ethenyl 2-methyl-3-silylprop-2-enoate is C=COC(=O)C(C)=C[SiH3].
What is the InChIKey of ethenyl 2-methyl-3-silylprop-2-enoate?
The InChIKey is CDJQWVSZCJIDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2Si/c1-3-8-6(7)5(2)4-9/h3-4H,1H2,2,9H3.
What are the key properties of ethenyl 2-methyl-3-silylprop-2-enoate?
ethenyl 2-methyl-3-silylprop-2-enoate has a molecular weight of 142.23 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-methyl-3-silylprop-2-enoate is sourced from PubChem (CID 173461885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).