1,1-dimethylsilinan-4-one

C7H14OSi — CID 547017

IUPAC1,1-dimethylsilinan-4-one
SMILESC[Si]1(C)CCC(=O)CC1
InChIInChI=1S/C7H14OSi/c1-9(2)5-3-7(8)4-6-9/h3-6H2,1-2H3
InChIKeyYJWAMCPLZPXFCB-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.06
Rot. Bonds

About 1,1-dimethylsilinan-4-one

1,1-dimethylsilinan-4-one (PubChem CID 547017) has the molecular formula C7H14OSi and a molecular weight of 142.27 g/mol. Its IUPAC name is 1,1-dimethylsilinan-4-one.

Molecular Properties

Compound Name1,1-dimethylsilinan-4-one
PubChem CID547017
Molecular FormulaC7H14OSi
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name1,1-dimethylsilinan-4-one
SMILESC[Si]1(C)CCC(=O)CC1
InChIInChI=1S/C7H14OSi/c1-9(2)5-3-7(8)4-6-9/h3-6H2,1-2H3
InChIKeyYJWAMCPLZPXFCB-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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-4-one?
The IUPAC name of 1,1-dimethylsilinan-4-one (CID 547017) is 1,1-dimethylsilinan-4-one.
What is the SMILES notation for 1,1-dimethylsilinan-4-one?
The canonical SMILES for 1,1-dimethylsilinan-4-one is C[Si]1(C)CCC(=O)CC1.
What is the InChIKey of 1,1-dimethylsilinan-4-one?
The InChIKey is YJWAMCPLZPXFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OSi/c1-9(2)5-3-7(8)4-6-9/h3-6H2,1-2H3.
What are the key properties of 1,1-dimethylsilinan-4-one?
1,1-dimethylsilinan-4-one has a molecular weight of 142.27 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylsilinan-4-one is sourced from PubChem (CID 547017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).