1-trimethylsilyl-5-tri(propan-2-yl)silylpentane-1,5-dione

C17H36O2Si2 — CID 11163284

IUPAC1-trimethylsilyl-5-tri(propan-2-yl)silylpentane-1,5-dione
SMILESCC(C)[Si](C(=O)CCCC(=O)[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H36O2Si2/c1-13(2)21(14(3)4,15(5)6)17(19)12-10-11-16(18)20(7,8)9/h13-15H,10-12H2,1-9H3
InChIKeyDTFQHFNVSLJSLG-UHFFFAOYSA-N
MW328.65 g/mol
LogP5.39
Rot. Bonds9

About 1-trimethylsilyl-5-tri(propan-2-yl)silylpentane-1,5-dione

1-trimethylsilyl-5-tri(propan-2-yl)silylpentane-1,5-dione (PubChem CID 11163284) has the molecular formula C17H36O2Si2 and a molecular weight of 328.65 g/mol. Its IUPAC name is 1-trimethylsilyl-5-tri(propan-2-yl)silylpentane-1,5-dione.

Molecular Properties

Compound Name1-trimethylsilyl-5-tri(propan-2-yl)silylpentane-1,5-dione
PubChem CID11163284
Molecular FormulaC17H36O2Si2
Molecular Weight328.65 g/mol
Exact Mass328.23
IUPAC Name1-trimethylsilyl-5-tri(propan-2-yl)silylpentane-1,5-dione
SMILESCC(C)[Si](C(=O)CCCC(=O)[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H36O2Si2/c1-13(2)21(14(3)4,15(5)6)17(19)12-10-11-16(18)20(7,8)9/h13-15H,10-12H2,1-9H3
InChIKeyDTFQHFNVSLJSLG-UHFFFAOYSA-N
XLogP5.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.65
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-trimethylsilyl-5-tri(propan-2-yl)silylpentane-1,5-dione?
The IUPAC name of 1-trimethylsilyl-5-tri(propan-2-yl)silylpentane-1,5-dione (CID 11163284) is 1-trimethylsilyl-5-tri(propan-2-yl)silylpentane-1,5-dione.
What is the SMILES notation for 1-trimethylsilyl-5-tri(propan-2-yl)silylpentane-1,5-dione?
The canonical SMILES for 1-trimethylsilyl-5-tri(propan-2-yl)silylpentane-1,5-dione is CC(C)[Si](C(=O)CCCC(=O)[Si](C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-trimethylsilyl-5-tri(propan-2-yl)silylpentane-1,5-dione?
The InChIKey is DTFQHFNVSLJSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si2/c1-13(2)21(14(3)4,15(5)6)17(19)12-10-11-16(18)20(7,8)9/h13-15H,10-12H2,1-9H3.
What are the key properties of 1-trimethylsilyl-5-tri(propan-2-yl)silylpentane-1,5-dione?
1-trimethylsilyl-5-tri(propan-2-yl)silylpentane-1,5-dione has a molecular weight of 328.65 g/mol, XLogP of 5.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyl-5-tri(propan-2-yl)silylpentane-1,5-dione is sourced from PubChem (CID 11163284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).