4,4-bis(triethylsilyl)butan-2-one

C16H36OSi2 — CID 135021306

IUPAC4,4-bis(triethylsilyl)butan-2-one
SMILESCC[Si](CC)(CC)C(CC(C)=O)[Si](CC)(CC)CC
InChIInChI=1S/C16H36OSi2/c1-8-18(9-2,10-3)16(14-15(7)17)19(11-4,12-5)13-6/h16H,8-14H2,1-7H3
InChIKeyHMSNDPXZLUDYIW-UHFFFAOYSA-N
MW300.63 g/mol
LogP5.89
Rot. Bonds10

About 4,4-bis(triethylsilyl)butan-2-one

4,4-bis(triethylsilyl)butan-2-one (PubChem CID 135021306) has the molecular formula C16H36OSi2 and a molecular weight of 300.63 g/mol. Its IUPAC name is 4,4-bis(triethylsilyl)butan-2-one.

Molecular Properties

Compound Name4,4-bis(triethylsilyl)butan-2-one
PubChem CID135021306
Molecular FormulaC16H36OSi2
Molecular Weight300.63 g/mol
Exact Mass300.23
IUPAC Name4,4-bis(triethylsilyl)butan-2-one
SMILESCC[Si](CC)(CC)C(CC(C)=O)[Si](CC)(CC)CC
InChIInChI=1S/C16H36OSi2/c1-8-18(9-2,10-3)16(14-15(7)17)19(11-4,12-5)13-6/h16H,8-14H2,1-7H3
InChIKeyHMSNDPXZLUDYIW-UHFFFAOYSA-N
XLogP5.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.63
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4,4-bis(triethylsilyl)butan-2-one?
The IUPAC name of 4,4-bis(triethylsilyl)butan-2-one (CID 135021306) is 4,4-bis(triethylsilyl)butan-2-one.
What is the SMILES notation for 4,4-bis(triethylsilyl)butan-2-one?
The canonical SMILES for 4,4-bis(triethylsilyl)butan-2-one is CC[Si](CC)(CC)C(CC(C)=O)[Si](CC)(CC)CC.
What is the InChIKey of 4,4-bis(triethylsilyl)butan-2-one?
The InChIKey is HMSNDPXZLUDYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36OSi2/c1-8-18(9-2,10-3)16(14-15(7)17)19(11-4,12-5)13-6/h16H,8-14H2,1-7H3.
What are the key properties of 4,4-bis(triethylsilyl)butan-2-one?
4,4-bis(triethylsilyl)butan-2-one has a molecular weight of 300.63 g/mol, XLogP of 5.89, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(triethylsilyl)butan-2-one is sourced from PubChem (CID 135021306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).