3-penta-1,4-dien-3-ylsilylpropyl 2-methylprop-2-enoate

C12H20O2Si — CID 154198440

IUPAC3-penta-1,4-dien-3-ylsilylpropyl 2-methylprop-2-enoate
SMILESC=CC(C=C)[SiH2]CCCOC(=O)C(=C)C
InChIInChI=1S/C12H20O2Si/c1-5-11(6-2)15-9-7-8-14-12(13)10(3)4/h5-6,11H,1-3,7-9,15H2,4H3
InChIKeyIEBIAYNGEYFZCD-UHFFFAOYSA-N
MW224.38 g/mol
LogP2.24
Rot. Bonds8

About 3-penta-1,4-dien-3-ylsilylpropyl 2-methylprop-2-enoate

3-penta-1,4-dien-3-ylsilylpropyl 2-methylprop-2-enoate (PubChem CID 154198440) has the molecular formula C12H20O2Si and a molecular weight of 224.38 g/mol. Its IUPAC name is 3-penta-1,4-dien-3-ylsilylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-penta-1,4-dien-3-ylsilylpropyl 2-methylprop-2-enoate
PubChem CID154198440
Molecular FormulaC12H20O2Si
Molecular Weight224.38 g/mol
Exact Mass224.12
IUPAC Name3-penta-1,4-dien-3-ylsilylpropyl 2-methylprop-2-enoate
SMILESC=CC(C=C)[SiH2]CCCOC(=O)C(=C)C
InChIInChI=1S/C12H20O2Si/c1-5-11(6-2)15-9-7-8-14-12(13)10(3)4/h5-6,11H,1-3,7-9,15H2,4H3
InChIKeyIEBIAYNGEYFZCD-UHFFFAOYSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-penta-1,4-dien-3-ylsilylpropyl 2-methylprop-2-enoate?
The IUPAC name of 3-penta-1,4-dien-3-ylsilylpropyl 2-methylprop-2-enoate (CID 154198440) is 3-penta-1,4-dien-3-ylsilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-penta-1,4-dien-3-ylsilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for 3-penta-1,4-dien-3-ylsilylpropyl 2-methylprop-2-enoate is C=CC(C=C)[SiH2]CCCOC(=O)C(=C)C.
What is the InChIKey of 3-penta-1,4-dien-3-ylsilylpropyl 2-methylprop-2-enoate?
The InChIKey is IEBIAYNGEYFZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2Si/c1-5-11(6-2)15-9-7-8-14-12(13)10(3)4/h5-6,11H,1-3,7-9,15H2,4H3.
What are the key properties of 3-penta-1,4-dien-3-ylsilylpropyl 2-methylprop-2-enoate?
3-penta-1,4-dien-3-ylsilylpropyl 2-methylprop-2-enoate has a molecular weight of 224.38 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-penta-1,4-dien-3-ylsilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 154198440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).