1-(1-methylcyclopent-2-en-1-yl)-2-trimethylsilylethanone

C11H20OSi — CID 552813

IUPAC1-(1-methylcyclopent-2-en-1-yl)-2-trimethylsilylethanone
SMILESCC1(C(=O)C[Si](C)(C)C)C=CCC1
InChIInChI=1S/C11H20OSi/c1-11(7-5-6-8-11)10(12)9-13(2,3)4/h5,7H,6,8-9H2,1-4H3
InChIKeyZZNPNMJGWXWJGK-UHFFFAOYSA-N
MW196.37 g/mol
LogP3.25
Rot. Bonds3

About 1-(1-methylcyclopent-2-en-1-yl)-2-trimethylsilylethanone

1-(1-methylcyclopent-2-en-1-yl)-2-trimethylsilylethanone (PubChem CID 552813) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is 1-(1-methylcyclopent-2-en-1-yl)-2-trimethylsilylethanone.

Molecular Properties

Compound Name1-(1-methylcyclopent-2-en-1-yl)-2-trimethylsilylethanone
PubChem CID552813
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name1-(1-methylcyclopent-2-en-1-yl)-2-trimethylsilylethanone
SMILESCC1(C(=O)C[Si](C)(C)C)C=CCC1
InChIInChI=1S/C11H20OSi/c1-11(7-5-6-8-11)10(12)9-13(2,3)4/h5,7H,6,8-9H2,1-4H3
InChIKeyZZNPNMJGWXWJGK-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Methylcyclopent-2-en-1-yl)ethan-1-one
CID 557087
Ethanone, 1-(1,5,5-trimethyl-3-cyclohexen-1-yl)-
CID 111458
1-[(1R,5S)-1,2,5-trimethyl-3-trimethylsilylcyclopent-2-en-1-yl]ethanone
CID 13095616
1-[(1R,5R)-1,2,5-trimethyl-3-trimethylsilylcyclopent-2-en-1-yl]ethanone
CID 13095617
5,8-Dimethyl-1-trimethylsilylnon-7-en-3-one
CID 100921795
(5S)-3-ethenyl-5-methyl-5-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one
CID 134925456
(2R)-2-[(E)-but-1-enyl]-2-methylcyclopentan-1-one
CID 135056630
5-Hepten-3-one, 2,2-dimethyl-7-trimethylsilyl-
CID 5366392
(6E)-4,4-dimethyl-8-trimethylsilylocta-1,6-dien-3-one
CID 10609217
(2E,7E)-5,5-dimethyl-9-trimethylsilylnona-2,7-dien-4-one
CID 10823873
6-Methyl-3-(trimethylsilyl)spiro[4.5]deca-2,6-dien-1-one
CID 12815537
6-Methyl-2-(trimethylsilyl)spiro[4.5]deca-2,6-dien-1-one
CID 12815538

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopent-2-en-1-yl)-2-trimethylsilylethanone?
The IUPAC name of 1-(1-methylcyclopent-2-en-1-yl)-2-trimethylsilylethanone (CID 552813) is 1-(1-methylcyclopent-2-en-1-yl)-2-trimethylsilylethanone.
What is the SMILES notation for 1-(1-methylcyclopent-2-en-1-yl)-2-trimethylsilylethanone?
The canonical SMILES for 1-(1-methylcyclopent-2-en-1-yl)-2-trimethylsilylethanone is CC1(C(=O)C[Si](C)(C)C)C=CCC1.
What is the InChIKey of 1-(1-methylcyclopent-2-en-1-yl)-2-trimethylsilylethanone?
The InChIKey is ZZNPNMJGWXWJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-11(7-5-6-8-11)10(12)9-13(2,3)4/h5,7H,6,8-9H2,1-4H3.
What are the key properties of 1-(1-methylcyclopent-2-en-1-yl)-2-trimethylsilylethanone?
1-(1-methylcyclopent-2-en-1-yl)-2-trimethylsilylethanone has a molecular weight of 196.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopent-2-en-1-yl)-2-trimethylsilylethanone is sourced from PubChem (CID 552813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).