propyl (E)-2-methyl-3-trichlorosilylprop-2-enoate

C7H11Cl3O2Si — CID 19837358

IUPACpropyl (E)-2-methyl-3-trichlorosilylprop-2-enoate
SMILESCCCOC(=O)/C(C)=C/[Si](Cl)(Cl)Cl
InChIInChI=1S/C7H11Cl3O2Si/c1-3-4-12-7(11)6(2)5-13(8,9)10/h5H,3-4H2,1-2H3/b6-5+
InChIKeyRLHBKVXUXJFISK-AATRIKPKSA-N
MW261.61 g/mol
LogP3.08
Rot. Bonds4

About propyl (E)-2-methyl-3-trichlorosilylprop-2-enoate

propyl (E)-2-methyl-3-trichlorosilylprop-2-enoate (PubChem CID 19837358) has the molecular formula C7H11Cl3O2Si and a molecular weight of 261.61 g/mol. Its IUPAC name is propyl (E)-2-methyl-3-trichlorosilylprop-2-enoate.

Molecular Properties

Compound Namepropyl (E)-2-methyl-3-trichlorosilylprop-2-enoate
PubChem CID19837358
Molecular FormulaC7H11Cl3O2Si
Molecular Weight261.61 g/mol
Exact Mass259.96
IUPAC Namepropyl (E)-2-methyl-3-trichlorosilylprop-2-enoate
SMILESCCCOC(=O)/C(C)=C/[Si](Cl)(Cl)Cl
InChIInChI=1S/C7H11Cl3O2Si/c1-3-4-12-7(11)6(2)5-13(8,9)10/h5H,3-4H2,1-2H3/b6-5+
InChIKeyRLHBKVXUXJFISK-AATRIKPKSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.61
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl (E)-2-methyl-3-trichlorosilylprop-2-enoate?
The IUPAC name of propyl (E)-2-methyl-3-trichlorosilylprop-2-enoate (CID 19837358) is propyl (E)-2-methyl-3-trichlorosilylprop-2-enoate.
What is the SMILES notation for propyl (E)-2-methyl-3-trichlorosilylprop-2-enoate?
The canonical SMILES for propyl (E)-2-methyl-3-trichlorosilylprop-2-enoate is CCCOC(=O)/C(C)=C/[Si](Cl)(Cl)Cl.
What is the InChIKey of propyl (E)-2-methyl-3-trichlorosilylprop-2-enoate?
The InChIKey is RLHBKVXUXJFISK-AATRIKPKSA-N. The full InChI is InChI=1S/C7H11Cl3O2Si/c1-3-4-12-7(11)6(2)5-13(8,9)10/h5H,3-4H2,1-2H3/b6-5+.
What are the key properties of propyl (E)-2-methyl-3-trichlorosilylprop-2-enoate?
propyl (E)-2-methyl-3-trichlorosilylprop-2-enoate has a molecular weight of 261.61 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (E)-2-methyl-3-trichlorosilylprop-2-enoate is sourced from PubChem (CID 19837358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).