1-cyclopropyl-2-trimethylsilylethanone

C8H16OSi — CID 91510198

IUPAC1-cyclopropyl-2-trimethylsilylethanone
SMILESC[Si](C)(C)CC(=O)C1CC1
InChIInChI=1S/C8H16OSi/c1-10(2,3)6-8(9)7-4-5-7/h7H,4-6H2,1-3H3
InChIKeyPQRDYSLZLPKEDG-UHFFFAOYSA-N
MW156.30 g/mol
LogP2.30
Rot. Bonds3

About 1-cyclopropyl-2-trimethylsilylethanone

1-cyclopropyl-2-trimethylsilylethanone (PubChem CID 91510198) has the molecular formula C8H16OSi and a molecular weight of 156.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-trimethylsilylethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-trimethylsilylethanone
PubChem CID91510198
Molecular FormulaC8H16OSi
Molecular Weight156.30 g/mol
Exact Mass156.10
IUPAC Name1-cyclopropyl-2-trimethylsilylethanone
SMILESC[Si](C)(C)CC(=O)C1CC1
InChIInChI=1S/C8H16OSi/c1-10(2,3)6-8(9)7-4-5-7/h7H,4-6H2,1-3H3
InChIKeyPQRDYSLZLPKEDG-UHFFFAOYSA-N
XLogP2.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.30
LogP ≤ 52.30
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 1-cyclopropyl-2-trimethylsilylethanone?
The IUPAC name of 1-cyclopropyl-2-trimethylsilylethanone (CID 91510198) is 1-cyclopropyl-2-trimethylsilylethanone.
What is the SMILES notation for 1-cyclopropyl-2-trimethylsilylethanone?
The canonical SMILES for 1-cyclopropyl-2-trimethylsilylethanone is C[Si](C)(C)CC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-trimethylsilylethanone?
The InChIKey is PQRDYSLZLPKEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OSi/c1-10(2,3)6-8(9)7-4-5-7/h7H,4-6H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-trimethylsilylethanone?
1-cyclopropyl-2-trimethylsilylethanone has a molecular weight of 156.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-trimethylsilylethanone is sourced from PubChem (CID 91510198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).