1-[dimethyl(octyl)silyl]propan-1-one

C13H28OSi — CID 4292823

IUPAC1-[dimethyl(octyl)silyl]propan-1-one
SMILESCCCCCCCC[Si](C)(C)C(=O)CC
InChIInChI=1S/C13H28OSi/c1-5-7-8-9-10-11-12-15(3,4)13(14)6-2/h5-12H2,1-4H3
InChIKeyZKPUJZAYLJOBJU-UHFFFAOYSA-N
MW228.45 g/mol
LogP4.57
Rot. Bonds9

About 1-[dimethyl(octyl)silyl]propan-1-one

1-[dimethyl(octyl)silyl]propan-1-one (PubChem CID 4292823) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is 1-[dimethyl(octyl)silyl]propan-1-one.

Molecular Properties

Compound Name1-[dimethyl(octyl)silyl]propan-1-one
PubChem CID4292823
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Name1-[dimethyl(octyl)silyl]propan-1-one
SMILESCCCCCCCC[Si](C)(C)C(=O)CC
InChIInChI=1S/C13H28OSi/c1-5-7-8-9-10-11-12-15(3,4)13(14)6-2/h5-12H2,1-4H3
InChIKeyZKPUJZAYLJOBJU-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 54.57
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 1-[dimethyl(octyl)silyl]propan-1-one?
The IUPAC name of 1-[dimethyl(octyl)silyl]propan-1-one (CID 4292823) is 1-[dimethyl(octyl)silyl]propan-1-one.
What is the SMILES notation for 1-[dimethyl(octyl)silyl]propan-1-one?
The canonical SMILES for 1-[dimethyl(octyl)silyl]propan-1-one is CCCCCCCC[Si](C)(C)C(=O)CC.
What is the InChIKey of 1-[dimethyl(octyl)silyl]propan-1-one?
The InChIKey is ZKPUJZAYLJOBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OSi/c1-5-7-8-9-10-11-12-15(3,4)13(14)6-2/h5-12H2,1-4H3.
What are the key properties of 1-[dimethyl(octyl)silyl]propan-1-one?
1-[dimethyl(octyl)silyl]propan-1-one has a molecular weight of 228.45 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethyl(octyl)silyl]propan-1-one is sourced from PubChem (CID 4292823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).