7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-dione

C13H26O3Si — CID 59748623

IUPAC7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-dione
SMILESCC(=O)CC(=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-11(14)10-12(15)8-7-9-16-17(5,6)13(2,3)4/h7-10H2,1-6H3
InChIKeyXJLSZXFEVDSHDV-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.34
Rot. Bonds7

About 7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-dione

7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-dione (PubChem CID 59748623) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-dione.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-dione
PubChem CID59748623
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-dione
SMILESCC(=O)CC(=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-11(14)10-12(15)8-7-9-16-17(5,6)13(2,3)4/h7-10H2,1-6H3
InChIKeyXJLSZXFEVDSHDV-UHFFFAOYSA-N
XLogP3.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-dione?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-dione (CID 59748623) is 7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-dione.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-dione?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-dione is CC(=O)CC(=O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-dione?
The InChIKey is XJLSZXFEVDSHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-11(14)10-12(15)8-7-9-16-17(5,6)13(2,3)4/h7-10H2,1-6H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-dione?
7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-dione has a molecular weight of 258.43 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-dione is sourced from PubChem (CID 59748623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).