3-methyl-2-trimethylsilylpenta-1,4-diene-1-selone

C9H16SeSi — CID 12634299

IUPAC3-methyl-2-trimethylsilylpenta-1,4-diene-1-selone
SMILESC=CC(C)C(=C=[Se])[Si](C)(C)C
InChIInChI=1S/C9H16SeSi/c1-6-8(2)9(7-10)11(3,4)5/h6,8H,1H2,2-5H3
InChIKeyHUMBOUARACPHSJ-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.18
Rot. Bonds3

About 3-methyl-2-trimethylsilylpenta-1,4-diene-1-selone

3-methyl-2-trimethylsilylpenta-1,4-diene-1-selone (PubChem CID 12634299) has the molecular formula C9H16SeSi and a molecular weight of 231.27 g/mol. Its IUPAC name is 3-methyl-2-trimethylsilylpenta-1,4-diene-1-selone.

Molecular Properties

Compound Name3-methyl-2-trimethylsilylpenta-1,4-diene-1-selone
PubChem CID12634299
Molecular FormulaC9H16SeSi
Molecular Weight231.27 g/mol
Exact Mass232.02
IUPAC Name3-methyl-2-trimethylsilylpenta-1,4-diene-1-selone
SMILESC=CC(C)C(=C=[Se])[Si](C)(C)C
InChIInChI=1S/C9H16SeSi/c1-6-8(2)9(7-10)11(3,4)5/h6,8H,1H2,2-5H3
InChIKeyHUMBOUARACPHSJ-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-trimethylsilylpenta-1,4-diene-1-selone?
The IUPAC name of 3-methyl-2-trimethylsilylpenta-1,4-diene-1-selone (CID 12634299) is 3-methyl-2-trimethylsilylpenta-1,4-diene-1-selone.
What is the SMILES notation for 3-methyl-2-trimethylsilylpenta-1,4-diene-1-selone?
The canonical SMILES for 3-methyl-2-trimethylsilylpenta-1,4-diene-1-selone is C=CC(C)C(=C=[Se])[Si](C)(C)C.
What is the InChIKey of 3-methyl-2-trimethylsilylpenta-1,4-diene-1-selone?
The InChIKey is HUMBOUARACPHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16SeSi/c1-6-8(2)9(7-10)11(3,4)5/h6,8H,1H2,2-5H3.
What are the key properties of 3-methyl-2-trimethylsilylpenta-1,4-diene-1-selone?
3-methyl-2-trimethylsilylpenta-1,4-diene-1-selone has a molecular weight of 231.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-trimethylsilylpenta-1,4-diene-1-selone is sourced from PubChem (CID 12634299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).