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

C10H20O2Si — CID 23158383

IUPACpropyl (E)-2-methyl-3-trimethylsilylprop-2-enoate
SMILESCCCOC(=O)/C(C)=C/[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-6-7-12-10(11)9(2)8-13(3,4)5/h8H,6-7H2,1-5H3/b9-8+
InChIKeyAMADYNUJNZBKIE-CMDGGOBGSA-N
MW200.35 g/mol
LogP2.76
Rot. Bonds4

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

propyl (E)-2-methyl-3-trimethylsilylprop-2-enoate (PubChem CID 23158383) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is propyl (E)-2-methyl-3-trimethylsilylprop-2-enoate.

Molecular Properties

Compound Namepropyl (E)-2-methyl-3-trimethylsilylprop-2-enoate
PubChem CID23158383
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Namepropyl (E)-2-methyl-3-trimethylsilylprop-2-enoate
SMILESCCCOC(=O)/C(C)=C/[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-6-7-12-10(11)9(2)8-13(3,4)5/h8H,6-7H2,1-5H3/b9-8+
InChIKeyAMADYNUJNZBKIE-CMDGGOBGSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.76
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'}

Analyze propyl (E)-2-methyl-3-trimethylsilylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propyl (E)-2-methyl-3-trimethylsilylprop-2-enoate?
The IUPAC name of propyl (E)-2-methyl-3-trimethylsilylprop-2-enoate (CID 23158383) is propyl (E)-2-methyl-3-trimethylsilylprop-2-enoate.
What is the SMILES notation for propyl (E)-2-methyl-3-trimethylsilylprop-2-enoate?
The canonical SMILES for propyl (E)-2-methyl-3-trimethylsilylprop-2-enoate is CCCOC(=O)/C(C)=C/[Si](C)(C)C.
What is the InChIKey of propyl (E)-2-methyl-3-trimethylsilylprop-2-enoate?
The InChIKey is AMADYNUJNZBKIE-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-6-7-12-10(11)9(2)8-13(3,4)5/h8H,6-7H2,1-5H3/b9-8+.
What are the key properties of propyl (E)-2-methyl-3-trimethylsilylprop-2-enoate?
propyl (E)-2-methyl-3-trimethylsilylprop-2-enoate has a molecular weight of 200.35 g/mol, XLogP of 2.76, 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-trimethylsilylprop-2-enoate is sourced from PubChem (CID 23158383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).