2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione

C16H24O4Si — CID 175720715

IUPAC2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione
SMILESCCCC[Si](OC)(OC)C(C(C)=O)C(=O)c1ccccc1
InChIInChI=1S/C16H24O4Si/c1-5-6-12-21(19-3,20-4)16(13(2)17)15(18)14-10-8-7-9-11-14/h7-11,16H,5-6,12H2,1-4H3
InChIKeyDXPIDTZMXBTFHS-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.36
Rot. Bonds9

About 2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione

2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione (PubChem CID 175720715) has the molecular formula C16H24O4Si and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione.

Molecular Properties

Compound Name2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione
PubChem CID175720715
Molecular FormulaC16H24O4Si
Molecular Weight308.45 g/mol
Exact Mass308.14
IUPAC Name2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione
SMILESCCCC[Si](OC)(OC)C(C(C)=O)C(=O)c1ccccc1
InChIInChI=1S/C16H24O4Si/c1-5-6-12-21(19-3,20-4)16(13(2)17)15(18)14-10-8-7-9-11-14/h7-11,16H,5-6,12H2,1-4H3
InChIKeyDXPIDTZMXBTFHS-UHFFFAOYSA-N
XLogP3.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione?
The IUPAC name of 2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione (CID 175720715) is 2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione.
What is the SMILES notation for 2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione?
The canonical SMILES for 2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione is CCCC[Si](OC)(OC)C(C(C)=O)C(=O)c1ccccc1.
What is the InChIKey of 2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione?
The InChIKey is DXPIDTZMXBTFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4Si/c1-5-6-12-21(19-3,20-4)16(13(2)17)15(18)14-10-8-7-9-11-14/h7-11,16H,5-6,12H2,1-4H3.
What are the key properties of 2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione?
2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione has a molecular weight of 308.45 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione is sourced from PubChem (CID 175720715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).