2-trimethylsilylcyclopropan-1-one

C6H12OSi — CID 12536476

IUPAC2-trimethylsilylcyclopropan-1-one
SMILESC[Si](C)(C)C1CC1=O
InChIInChI=1S/C6H12OSi/c1-8(2,3)6-4-5(6)7/h6H,4H2,1-3H3
InChIKeyWSIDXMIQCOHMHT-UHFFFAOYSA-N
MW128.25 g/mol
LogP1.67
Rot. Bonds1

About 2-trimethylsilylcyclopropan-1-one

2-trimethylsilylcyclopropan-1-one (PubChem CID 12536476) has the molecular formula C6H12OSi and a molecular weight of 128.25 g/mol. Its IUPAC name is 2-trimethylsilylcyclopropan-1-one.

Molecular Properties

Compound Name2-trimethylsilylcyclopropan-1-one
PubChem CID12536476
Molecular FormulaC6H12OSi
Molecular Weight128.25 g/mol
Exact Mass128.07
IUPAC Name2-trimethylsilylcyclopropan-1-one
SMILESC[Si](C)(C)C1CC1=O
InChIInChI=1S/C6H12OSi/c1-8(2,3)6-4-5(6)7/h6H,4H2,1-3H3
InChIKeyWSIDXMIQCOHMHT-UHFFFAOYSA-N
XLogP1.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.25
LogP ≤ 51.67
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 2-trimethylsilylcyclopropan-1-one?
The IUPAC name of 2-trimethylsilylcyclopropan-1-one (CID 12536476) is 2-trimethylsilylcyclopropan-1-one.
What is the SMILES notation for 2-trimethylsilylcyclopropan-1-one?
The canonical SMILES for 2-trimethylsilylcyclopropan-1-one is C[Si](C)(C)C1CC1=O.
What is the InChIKey of 2-trimethylsilylcyclopropan-1-one?
The InChIKey is WSIDXMIQCOHMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OSi/c1-8(2,3)6-4-5(6)7/h6H,4H2,1-3H3.
What are the key properties of 2-trimethylsilylcyclopropan-1-one?
2-trimethylsilylcyclopropan-1-one has a molecular weight of 128.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylcyclopropan-1-one is sourced from PubChem (CID 12536476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).