2-methyl-3,3-bis(triethylsilyl)prop-1-en-1-one

C16H34OSi2 — CID 175786814

IUPAC2-methyl-3,3-bis(triethylsilyl)prop-1-en-1-one
SMILESCC[Si](CC)(CC)C(C(C)=C=O)[Si](CC)(CC)CC
InChIInChI=1S/C16H34OSi2/c1-8-18(9-2,10-3)16(15(7)14-17)19(11-4,12-5)13-6/h16H,8-13H2,1-7H3
InChIKeyAAJGODAGTPYSPY-UHFFFAOYSA-N
MW298.62 g/mol
LogP5.69
Rot. Bonds9

About 2-methyl-3,3-bis(triethylsilyl)prop-1-en-1-one

2-methyl-3,3-bis(triethylsilyl)prop-1-en-1-one (PubChem CID 175786814) has the molecular formula C16H34OSi2 and a molecular weight of 298.62 g/mol. Its IUPAC name is 2-methyl-3,3-bis(triethylsilyl)prop-1-en-1-one.

Molecular Properties

Compound Name2-methyl-3,3-bis(triethylsilyl)prop-1-en-1-one
PubChem CID175786814
Molecular FormulaC16H34OSi2
Molecular Weight298.62 g/mol
Exact Mass298.21
IUPAC Name2-methyl-3,3-bis(triethylsilyl)prop-1-en-1-one
SMILESCC[Si](CC)(CC)C(C(C)=C=O)[Si](CC)(CC)CC
InChIInChI=1S/C16H34OSi2/c1-8-18(9-2,10-3)16(15(7)14-17)19(11-4,12-5)13-6/h16H,8-13H2,1-7H3
InChIKeyAAJGODAGTPYSPY-UHFFFAOYSA-N
XLogP5.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.62
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,3-bis(triethylsilyl)prop-1-en-1-one?
The IUPAC name of 2-methyl-3,3-bis(triethylsilyl)prop-1-en-1-one (CID 175786814) is 2-methyl-3,3-bis(triethylsilyl)prop-1-en-1-one.
What is the SMILES notation for 2-methyl-3,3-bis(triethylsilyl)prop-1-en-1-one?
The canonical SMILES for 2-methyl-3,3-bis(triethylsilyl)prop-1-en-1-one is CC[Si](CC)(CC)C(C(C)=C=O)[Si](CC)(CC)CC.
What is the InChIKey of 2-methyl-3,3-bis(triethylsilyl)prop-1-en-1-one?
The InChIKey is AAJGODAGTPYSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34OSi2/c1-8-18(9-2,10-3)16(15(7)14-17)19(11-4,12-5)13-6/h16H,8-13H2,1-7H3.
What are the key properties of 2-methyl-3,3-bis(triethylsilyl)prop-1-en-1-one?
2-methyl-3,3-bis(triethylsilyl)prop-1-en-1-one has a molecular weight of 298.62 g/mol, XLogP of 5.69, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,3-bis(triethylsilyl)prop-1-en-1-one is sourced from PubChem (CID 175786814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).