3-trimethylsilylcyclopentan-1-one

C8H16OSi — CID 14001618

IUPAC3-trimethylsilylcyclopentan-1-one
SMILESC[Si](C)(C)C1CCC(=O)C1
InChIInChI=1S/C8H16OSi/c1-10(2,3)8-5-4-7(9)6-8/h8H,4-6H2,1-3H3
InChIKeyLNAPHAOPZMELDH-UHFFFAOYSA-N
MW156.30 g/mol
LogP2.45
Rot. Bonds1

About 3-trimethylsilylcyclopentan-1-one

3-trimethylsilylcyclopentan-1-one (PubChem CID 14001618) has the molecular formula C8H16OSi and a molecular weight of 156.30 g/mol. Its IUPAC name is 3-trimethylsilylcyclopentan-1-one.

Molecular Properties

Compound Name3-trimethylsilylcyclopentan-1-one
PubChem CID14001618
Molecular FormulaC8H16OSi
Molecular Weight156.30 g/mol
Exact Mass156.10
IUPAC Name3-trimethylsilylcyclopentan-1-one
SMILESC[Si](C)(C)C1CCC(=O)C1
InChIInChI=1S/C8H16OSi/c1-10(2,3)8-5-4-7(9)6-8/h8H,4-6H2,1-3H3
InChIKeyLNAPHAOPZMELDH-UHFFFAOYSA-N
XLogP2.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.30
LogP ≤ 52.45
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-trimethylsilylcyclopentan-1-one?
The IUPAC name of 3-trimethylsilylcyclopentan-1-one (CID 14001618) is 3-trimethylsilylcyclopentan-1-one.
What is the SMILES notation for 3-trimethylsilylcyclopentan-1-one?
The canonical SMILES for 3-trimethylsilylcyclopentan-1-one is C[Si](C)(C)C1CCC(=O)C1.
What is the InChIKey of 3-trimethylsilylcyclopentan-1-one?
The InChIKey is LNAPHAOPZMELDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OSi/c1-10(2,3)8-5-4-7(9)6-8/h8H,4-6H2,1-3H3.
What are the key properties of 3-trimethylsilylcyclopentan-1-one?
3-trimethylsilylcyclopentan-1-one has a molecular weight of 156.30 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylcyclopentan-1-one is sourced from PubChem (CID 14001618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).