2,2-dimethyl-4-(trimethylsilylmethyl)nonan-3-one

C15H32OSi — CID 14902790

IUPAC2,2-dimethyl-4-(trimethylsilylmethyl)nonan-3-one
SMILESCCCCCC(C[Si](C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C15H32OSi/c1-8-9-10-11-13(12-17(5,6)7)14(16)15(2,3)4/h13H,8-12H2,1-7H3
InChIKeyWEWQGLWKQZTCQP-UHFFFAOYSA-N
MW256.51 g/mol
LogP5.14
Rot. Bonds7

About 2,2-dimethyl-4-(trimethylsilylmethyl)nonan-3-one

2,2-dimethyl-4-(trimethylsilylmethyl)nonan-3-one (PubChem CID 14902790) has the molecular formula C15H32OSi and a molecular weight of 256.51 g/mol. Its IUPAC name is 2,2-dimethyl-4-(trimethylsilylmethyl)nonan-3-one.

Molecular Properties

Compound Name2,2-dimethyl-4-(trimethylsilylmethyl)nonan-3-one
PubChem CID14902790
Molecular FormulaC15H32OSi
Molecular Weight256.51 g/mol
Exact Mass256.22
IUPAC Name2,2-dimethyl-4-(trimethylsilylmethyl)nonan-3-one
SMILESCCCCCC(C[Si](C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C15H32OSi/c1-8-9-10-11-13(12-17(5,6)7)14(16)15(2,3)4/h13H,8-12H2,1-7H3
InChIKeyWEWQGLWKQZTCQP-UHFFFAOYSA-N
XLogP5.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.51
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(trimethylsilylmethyl)nonan-3-one?
The IUPAC name of 2,2-dimethyl-4-(trimethylsilylmethyl)nonan-3-one (CID 14902790) is 2,2-dimethyl-4-(trimethylsilylmethyl)nonan-3-one.
What is the SMILES notation for 2,2-dimethyl-4-(trimethylsilylmethyl)nonan-3-one?
The canonical SMILES for 2,2-dimethyl-4-(trimethylsilylmethyl)nonan-3-one is CCCCCC(C[Si](C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-4-(trimethylsilylmethyl)nonan-3-one?
The InChIKey is WEWQGLWKQZTCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32OSi/c1-8-9-10-11-13(12-17(5,6)7)14(16)15(2,3)4/h13H,8-12H2,1-7H3.
What are the key properties of 2,2-dimethyl-4-(trimethylsilylmethyl)nonan-3-one?
2,2-dimethyl-4-(trimethylsilylmethyl)nonan-3-one has a molecular weight of 256.51 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(trimethylsilylmethyl)nonan-3-one is sourced from PubChem (CID 14902790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).