1,1-dimethylsilinan-2-one

C7H14OSi — CID 14691080

IUPAC1,1-dimethylsilinan-2-one
SMILESC[Si]1(C)CCCCC1=O
InChIInChI=1S/C7H14OSi/c1-9(2)6-4-3-5-7(9)8/h3-6H2,1-2H3
InChIKeyKWLKCTFLHSDHKQ-UHFFFAOYSA-N
MW142.27 g/mol
LogP1.99
Rot. Bonds

About 1,1-dimethylsilinan-2-one

1,1-dimethylsilinan-2-one (PubChem CID 14691080) has the molecular formula C7H14OSi and a molecular weight of 142.27 g/mol. Its IUPAC name is 1,1-dimethylsilinan-2-one.

Molecular Properties

Compound Name1,1-dimethylsilinan-2-one
PubChem CID14691080
Molecular FormulaC7H14OSi
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name1,1-dimethylsilinan-2-one
SMILESC[Si]1(C)CCCCC1=O
InChIInChI=1S/C7H14OSi/c1-9(2)6-4-3-5-7(9)8/h3-6H2,1-2H3
InChIKeyKWLKCTFLHSDHKQ-UHFFFAOYSA-N
XLogP1.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 51.99
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 1,1-dimethylsilinan-2-one?
The IUPAC name of 1,1-dimethylsilinan-2-one (CID 14691080) is 1,1-dimethylsilinan-2-one.
What is the SMILES notation for 1,1-dimethylsilinan-2-one?
The canonical SMILES for 1,1-dimethylsilinan-2-one is C[Si]1(C)CCCCC1=O.
What is the InChIKey of 1,1-dimethylsilinan-2-one?
The InChIKey is KWLKCTFLHSDHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OSi/c1-9(2)6-4-3-5-7(9)8/h3-6H2,1-2H3.
What are the key properties of 1,1-dimethylsilinan-2-one?
1,1-dimethylsilinan-2-one has a molecular weight of 142.27 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylsilinan-2-one is sourced from PubChem (CID 14691080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).