1-[tert-butyl(dimethyl)silyl]pentane-1,2-dione

C11H22O2Si — CID 87383320

IUPAC1-[tert-butyl(dimethyl)silyl]pentane-1,2-dione
SMILESCCCC(=O)C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-8-9(12)10(13)14(5,6)11(2,3)4/h7-8H2,1-6H3
InChIKeyQLLGVFONBZIGMH-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.97
Rot. Bonds4

About 1-[tert-butyl(dimethyl)silyl]pentane-1,2-dione

1-[tert-butyl(dimethyl)silyl]pentane-1,2-dione (PubChem CID 87383320) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]pentane-1,2-dione.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]pentane-1,2-dione
PubChem CID87383320
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name1-[tert-butyl(dimethyl)silyl]pentane-1,2-dione
SMILESCCCC(=O)C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-8-9(12)10(13)14(5,6)11(2,3)4/h7-8H2,1-6H3
InChIKeyQLLGVFONBZIGMH-UHFFFAOYSA-N
XLogP2.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]pentane-1,2-dione?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]pentane-1,2-dione (CID 87383320) is 1-[tert-butyl(dimethyl)silyl]pentane-1,2-dione.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]pentane-1,2-dione?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]pentane-1,2-dione is CCCC(=O)C(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]pentane-1,2-dione?
The InChIKey is QLLGVFONBZIGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-7-8-9(12)10(13)14(5,6)11(2,3)4/h7-8H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]pentane-1,2-dione?
1-[tert-butyl(dimethyl)silyl]pentane-1,2-dione has a molecular weight of 214.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]pentane-1,2-dione is sourced from PubChem (CID 87383320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).