(E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one

C11H18OSi — CID 12935868

IUPAC(E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one
SMILESC[Si](C)(C)/C=C/C(=O)C1=CCCC1
InChIInChI=1S/C11H18OSi/c1-13(2,3)9-8-11(12)10-6-4-5-7-10/h6,8-9H,4-5,7H2,1-3H3/b9-8+
InChIKeyWSWJNEKJERVLPZ-CMDGGOBGSA-N
MW194.35 g/mol
LogP3.10
Rot. Bonds3

About (E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one

(E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one (PubChem CID 12935868) has the molecular formula C11H18OSi and a molecular weight of 194.35 g/mol. Its IUPAC name is (E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one
PubChem CID12935868
Molecular FormulaC11H18OSi
Molecular Weight194.35 g/mol
Exact Mass194.11
IUPAC Name(E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one
SMILESC[Si](C)(C)/C=C/C(=O)C1=CCCC1
InChIInChI=1S/C11H18OSi/c1-13(2,3)9-8-11(12)10-6-4-5-7-10/h6,8-9H,4-5,7H2,1-3H3/b9-8+
InChIKeyWSWJNEKJERVLPZ-CMDGGOBGSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one?
The IUPAC name of (E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one (CID 12935868) is (E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one?
The canonical SMILES for (E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one is C[Si](C)(C)/C=C/C(=O)C1=CCCC1.
What is the InChIKey of (E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one?
The InChIKey is WSWJNEKJERVLPZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H18OSi/c1-13(2,3)9-8-11(12)10-6-4-5-7-10/h6,8-9H,4-5,7H2,1-3H3/b9-8+.
What are the key properties of (E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one?
(E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one has a molecular weight of 194.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one is sourced from PubChem (CID 12935868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).