3-methyl-2-triethylsilylpenta-1,3-dien-1-one

C12H22OSi — CID 71358280

IUPAC3-methyl-2-triethylsilylpenta-1,3-dien-1-one
SMILESCC=C(C)C(=C=O)[Si](CC)(CC)CC
InChIInChI=1S/C12H22OSi/c1-6-11(5)12(10-13)14(7-2,8-3)9-4/h6H,7-9H2,1-5H3
InChIKeyHPIVVQWHHNGUIT-UHFFFAOYSA-N
MW210.39 g/mol
LogP3.76
Rot. Bonds5

About 3-methyl-2-triethylsilylpenta-1,3-dien-1-one

3-methyl-2-triethylsilylpenta-1,3-dien-1-one (PubChem CID 71358280) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is 3-methyl-2-triethylsilylpenta-1,3-dien-1-one.

Molecular Properties

Compound Name3-methyl-2-triethylsilylpenta-1,3-dien-1-one
PubChem CID71358280
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name3-methyl-2-triethylsilylpenta-1,3-dien-1-one
SMILESCC=C(C)C(=C=O)[Si](CC)(CC)CC
InChIInChI=1S/C12H22OSi/c1-6-11(5)12(10-13)14(7-2,8-3)9-4/h6H,7-9H2,1-5H3
InChIKeyHPIVVQWHHNGUIT-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.76
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-triethylsilylpenta-1,3-dien-1-one?
The IUPAC name of 3-methyl-2-triethylsilylpenta-1,3-dien-1-one (CID 71358280) is 3-methyl-2-triethylsilylpenta-1,3-dien-1-one.
What is the SMILES notation for 3-methyl-2-triethylsilylpenta-1,3-dien-1-one?
The canonical SMILES for 3-methyl-2-triethylsilylpenta-1,3-dien-1-one is CC=C(C)C(=C=O)[Si](CC)(CC)CC.
What is the InChIKey of 3-methyl-2-triethylsilylpenta-1,3-dien-1-one?
The InChIKey is HPIVVQWHHNGUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-6-11(5)12(10-13)14(7-2,8-3)9-4/h6H,7-9H2,1-5H3.
What are the key properties of 3-methyl-2-triethylsilylpenta-1,3-dien-1-one?
3-methyl-2-triethylsilylpenta-1,3-dien-1-one has a molecular weight of 210.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-triethylsilylpenta-1,3-dien-1-one is sourced from PubChem (CID 71358280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).