2-[tert-butyl(dimethyl)silyl]heptan-3-one

C13H28OSi — CID 15033609

IUPAC2-[tert-butyl(dimethyl)silyl]heptan-3-one
SMILESCCCCC(=O)C(C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-8-9-10-12(14)11(2)15(6,7)13(3,4)5/h11H,8-10H2,1-7H3
InChIKeyGKBVIEAQLSWIFQ-UHFFFAOYSA-N
MW228.45 g/mol
LogP4.64
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]heptan-3-one

2-[tert-butyl(dimethyl)silyl]heptan-3-one (PubChem CID 15033609) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]heptan-3-one.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]heptan-3-one
PubChem CID15033609
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Name2-[tert-butyl(dimethyl)silyl]heptan-3-one
SMILESCCCCC(=O)C(C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-8-9-10-12(14)11(2)15(6,7)13(3,4)5/h11H,8-10H2,1-7H3
InChIKeyGKBVIEAQLSWIFQ-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 54.64
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-[tert-butyl(dimethyl)silyl]heptan-3-one?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]heptan-3-one (CID 15033609) is 2-[tert-butyl(dimethyl)silyl]heptan-3-one.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]heptan-3-one?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]heptan-3-one is CCCCC(=O)C(C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]heptan-3-one?
The InChIKey is GKBVIEAQLSWIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OSi/c1-8-9-10-12(14)11(2)15(6,7)13(3,4)5/h11H,8-10H2,1-7H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]heptan-3-one?
2-[tert-butyl(dimethyl)silyl]heptan-3-one has a molecular weight of 228.45 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]heptan-3-one is sourced from PubChem (CID 15033609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).