(2E)-2-(3-trimethylsilylprop-2-ynylidene)cyclopentan-1-one

C11H16OSi — CID 14526094

IUPAC(2E)-2-(3-trimethylsilylprop-2-ynylidene)cyclopentan-1-one
SMILESC[Si](C)(C)C#C/C=C1\CCCC1=O
InChIInChI=1S/C11H16OSi/c1-13(2,3)9-5-7-10-6-4-8-11(10)12/h7H,4,6,8H2,1-3H3/b10-7+
InChIKeyNQSQFBMOHALGAH-JXMROGBWSA-N
MW192.33 g/mol
LogP2.55
Rot. Bonds

About (2E)-2-(3-trimethylsilylprop-2-ynylidene)cyclopentan-1-one

(2E)-2-(3-trimethylsilylprop-2-ynylidene)cyclopentan-1-one (PubChem CID 14526094) has the molecular formula C11H16OSi and a molecular weight of 192.33 g/mol. Its IUPAC name is (2E)-2-(3-trimethylsilylprop-2-ynylidene)cyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-(3-trimethylsilylprop-2-ynylidene)cyclopentan-1-one
PubChem CID14526094
Molecular FormulaC11H16OSi
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name(2E)-2-(3-trimethylsilylprop-2-ynylidene)cyclopentan-1-one
SMILESC[Si](C)(C)C#C/C=C1\CCCC1=O
InChIInChI=1S/C11H16OSi/c1-13(2,3)9-5-7-10-6-4-8-11(10)12/h7H,4,6,8H2,1-3H3/b10-7+
InChIKeyNQSQFBMOHALGAH-JXMROGBWSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 52.55
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3-trimethylsilylprop-2-ynylidene)cyclopentan-1-one?
The IUPAC name of (2E)-2-(3-trimethylsilylprop-2-ynylidene)cyclopentan-1-one (CID 14526094) is (2E)-2-(3-trimethylsilylprop-2-ynylidene)cyclopentan-1-one.
What is the SMILES notation for (2E)-2-(3-trimethylsilylprop-2-ynylidene)cyclopentan-1-one?
The canonical SMILES for (2E)-2-(3-trimethylsilylprop-2-ynylidene)cyclopentan-1-one is C[Si](C)(C)C#C/C=C1\CCCC1=O.
What is the InChIKey of (2E)-2-(3-trimethylsilylprop-2-ynylidene)cyclopentan-1-one?
The InChIKey is NQSQFBMOHALGAH-JXMROGBWSA-N. The full InChI is InChI=1S/C11H16OSi/c1-13(2,3)9-5-7-10-6-4-8-11(10)12/h7H,4,6,8H2,1-3H3/b10-7+.
What are the key properties of (2E)-2-(3-trimethylsilylprop-2-ynylidene)cyclopentan-1-one?
(2E)-2-(3-trimethylsilylprop-2-ynylidene)cyclopentan-1-one has a molecular weight of 192.33 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3-trimethylsilylprop-2-ynylidene)cyclopentan-1-one is sourced from PubChem (CID 14526094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).