1,5-bis[tert-butyl(dimethyl)silyl]-2-methylpentane-1,5-dione

C18H38O2Si2 — CID 15877500

IUPAC1,5-bis[tert-butyl(dimethyl)silyl]-2-methylpentane-1,5-dione
SMILESCC(CCC(=O)[Si](C)(C)C(C)(C)C)C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-14(16(20)22(10,11)18(5,6)7)12-13-15(19)21(8,9)17(2,3)4/h14H,12-13H2,1-11H3
InChIKeyPQBVNVCGIMQDRY-UHFFFAOYSA-N
MW342.67 g/mol
LogP5.64
Rot. Bonds6

About 1,5-bis[tert-butyl(dimethyl)silyl]-2-methylpentane-1,5-dione

1,5-bis[tert-butyl(dimethyl)silyl]-2-methylpentane-1,5-dione (PubChem CID 15877500) has the molecular formula C18H38O2Si2 and a molecular weight of 342.67 g/mol. Its IUPAC name is 1,5-bis[tert-butyl(dimethyl)silyl]-2-methylpentane-1,5-dione.

Molecular Properties

Compound Name1,5-bis[tert-butyl(dimethyl)silyl]-2-methylpentane-1,5-dione
PubChem CID15877500
Molecular FormulaC18H38O2Si2
Molecular Weight342.67 g/mol
Exact Mass342.24
IUPAC Name1,5-bis[tert-butyl(dimethyl)silyl]-2-methylpentane-1,5-dione
SMILESCC(CCC(=O)[Si](C)(C)C(C)(C)C)C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-14(16(20)22(10,11)18(5,6)7)12-13-15(19)21(8,9)17(2,3)4/h14H,12-13H2,1-11H3
InChIKeyPQBVNVCGIMQDRY-UHFFFAOYSA-N
XLogP5.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.67
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Trimethylsilyl-5-tri(propan-2-yl)silylpentane-1,5-dione
CID 11163284
Silane, (1,5-dioxo-1,5-pentanediyl)bis[(1,1-dimethylethyl)dimethyl-
CID 11198255
4-Methyl-1-trimethylsilylpentan-1-one
CID 12529248
2-Methyl-1,5-bis(trimethylsilyl)pentane-1,5-dione
CID 15877499
1-[Tert-butyl(dimethyl)silyl]-5-triethylsilylpentane-1,5-dione
CID 15877501
2-Ethyl-1-[2-ethylpentanoyl(dimethyl)silyl]pentan-1-one
CID 154181784
1-[Dimethyl(4-methylpentanoyl)silyl]-4-methylpentan-1-one
CID 154204019
2-Methyl-1,6-bis(trimethylsilyl)hexane-1,6-dione
CID 10516350
2,5-Dimethyl-1,6-bis(trimethylsilyl)hexane-1,6-dione
CID 10660910
2-Ethyl-1-[2-[2-ethylbutanoyl(dimethyl)silyl]ethyl-dimethylsilyl]butan-1-one
CID 101175589
2-Ethyl-1-[[2-ethylbutanoyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-one
CID 101175591

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[tert-butyl(dimethyl)silyl]-2-methylpentane-1,5-dione?
The IUPAC name of 1,5-bis[tert-butyl(dimethyl)silyl]-2-methylpentane-1,5-dione (CID 15877500) is 1,5-bis[tert-butyl(dimethyl)silyl]-2-methylpentane-1,5-dione.
What is the SMILES notation for 1,5-bis[tert-butyl(dimethyl)silyl]-2-methylpentane-1,5-dione?
The canonical SMILES for 1,5-bis[tert-butyl(dimethyl)silyl]-2-methylpentane-1,5-dione is CC(CCC(=O)[Si](C)(C)C(C)(C)C)C(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1,5-bis[tert-butyl(dimethyl)silyl]-2-methylpentane-1,5-dione?
The InChIKey is PQBVNVCGIMQDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2Si2/c1-14(16(20)22(10,11)18(5,6)7)12-13-15(19)21(8,9)17(2,3)4/h14H,12-13H2,1-11H3.
What are the key properties of 1,5-bis[tert-butyl(dimethyl)silyl]-2-methylpentane-1,5-dione?
1,5-bis[tert-butyl(dimethyl)silyl]-2-methylpentane-1,5-dione has a molecular weight of 342.67 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[tert-butyl(dimethyl)silyl]-2-methylpentane-1,5-dione is sourced from PubChem (CID 15877500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).