3-[(E)-2-trimethylsilylprop-1-enyl]cyclopent-2-en-1-one

C11H18OSi — CID 139263858

IUPAC3-[(E)-2-trimethylsilylprop-1-enyl]cyclopent-2-en-1-one
SMILESC/C(=C\C1=CC(=O)CC1)[Si](C)(C)C
InChIInChI=1S/C11H18OSi/c1-9(13(2,3)4)7-10-5-6-11(12)8-10/h7-8H,5-6H2,1-4H3/b9-7+
InChIKeyABPOXXROTZQBKT-VQHVLOKHSA-N
MW194.35 g/mol
LogP3.10
Rot. Bonds2

About 3-[(E)-2-trimethylsilylprop-1-enyl]cyclopent-2-en-1-one

3-[(E)-2-trimethylsilylprop-1-enyl]cyclopent-2-en-1-one (PubChem CID 139263858) has the molecular formula C11H18OSi and a molecular weight of 194.35 g/mol. Its IUPAC name is 3-[(E)-2-trimethylsilylprop-1-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(E)-2-trimethylsilylprop-1-enyl]cyclopent-2-en-1-one
PubChem CID139263858
Molecular FormulaC11H18OSi
Molecular Weight194.35 g/mol
Exact Mass194.11
IUPAC Name3-[(E)-2-trimethylsilylprop-1-enyl]cyclopent-2-en-1-one
SMILESC/C(=C\C1=CC(=O)CC1)[Si](C)(C)C
InChIInChI=1S/C11H18OSi/c1-9(13(2,3)4)7-10-5-6-11(12)8-10/h7-8H,5-6H2,1-4H3/b9-7+
InChIKeyABPOXXROTZQBKT-VQHVLOKHSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-trimethylsilylprop-1-enyl]cyclopent-2-en-1-one?
The IUPAC name of 3-[(E)-2-trimethylsilylprop-1-enyl]cyclopent-2-en-1-one (CID 139263858) is 3-[(E)-2-trimethylsilylprop-1-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(E)-2-trimethylsilylprop-1-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(E)-2-trimethylsilylprop-1-enyl]cyclopent-2-en-1-one is C/C(=C\C1=CC(=O)CC1)[Si](C)(C)C.
What is the InChIKey of 3-[(E)-2-trimethylsilylprop-1-enyl]cyclopent-2-en-1-one?
The InChIKey is ABPOXXROTZQBKT-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H18OSi/c1-9(13(2,3)4)7-10-5-6-11(12)8-10/h7-8H,5-6H2,1-4H3/b9-7+.
What are the key properties of 3-[(E)-2-trimethylsilylprop-1-enyl]cyclopent-2-en-1-one?
3-[(E)-2-trimethylsilylprop-1-enyl]cyclopent-2-en-1-one has a molecular weight of 194.35 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-trimethylsilylprop-1-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 139263858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).