1-[butyl(dimethyl)silyl]pentane-2,3-dione

C11H22O2Si — CID 87854103

IUPAC1-[butyl(dimethyl)silyl]pentane-2,3-dione
SMILESCCCC[Si](C)(C)CC(=O)C(=O)CC
InChIInChI=1S/C11H22O2Si/c1-5-7-8-14(3,4)9-11(13)10(12)6-2/h5-9H2,1-4H3
InChIKeyZUXIHBXHBUHQMM-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.04
Rot. Bonds7

About 1-[butyl(dimethyl)silyl]pentane-2,3-dione

1-[butyl(dimethyl)silyl]pentane-2,3-dione (PubChem CID 87854103) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 1-[butyl(dimethyl)silyl]pentane-2,3-dione.

Molecular Properties

Compound Name1-[butyl(dimethyl)silyl]pentane-2,3-dione
PubChem CID87854103
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name1-[butyl(dimethyl)silyl]pentane-2,3-dione
SMILESCCCC[Si](C)(C)CC(=O)C(=O)CC
InChIInChI=1S/C11H22O2Si/c1-5-7-8-14(3,4)9-11(13)10(12)6-2/h5-9H2,1-4H3
InChIKeyZUXIHBXHBUHQMM-UHFFFAOYSA-N
XLogP3.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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-[butyl(dimethyl)silyl]pentane-2,3-dione?
The IUPAC name of 1-[butyl(dimethyl)silyl]pentane-2,3-dione (CID 87854103) is 1-[butyl(dimethyl)silyl]pentane-2,3-dione.
What is the SMILES notation for 1-[butyl(dimethyl)silyl]pentane-2,3-dione?
The canonical SMILES for 1-[butyl(dimethyl)silyl]pentane-2,3-dione is CCCC[Si](C)(C)CC(=O)C(=O)CC.
What is the InChIKey of 1-[butyl(dimethyl)silyl]pentane-2,3-dione?
The InChIKey is ZUXIHBXHBUHQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-5-7-8-14(3,4)9-11(13)10(12)6-2/h5-9H2,1-4H3.
What are the key properties of 1-[butyl(dimethyl)silyl]pentane-2,3-dione?
1-[butyl(dimethyl)silyl]pentane-2,3-dione has a molecular weight of 214.38 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(dimethyl)silyl]pentane-2,3-dione is sourced from PubChem (CID 87854103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).