1-triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one

C14H24OSi2 — CID 14937073

IUPAC1-triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one
SMILESCC[Si](C#CC(=O)C#C[Si](C)(C)C)(CC)CC
InChIInChI=1S/C14H24OSi2/c1-7-17(8-2,9-3)13-11-14(15)10-12-16(4,5)6/h7-9H2,1-6H3
InChIKeySHRVVYHZGAYULY-UHFFFAOYSA-N
MW264.52 g/mol
LogP3.49
Rot. Bonds3

About 1-triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one

1-triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one (PubChem CID 14937073) has the molecular formula C14H24OSi2 and a molecular weight of 264.52 g/mol. Its IUPAC name is 1-triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one.

Molecular Properties

Compound Name1-triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one
PubChem CID14937073
Molecular FormulaC14H24OSi2
Molecular Weight264.52 g/mol
Exact Mass264.14
IUPAC Name1-triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one
SMILESCC[Si](C#CC(=O)C#C[Si](C)(C)C)(CC)CC
InChIInChI=1S/C14H24OSi2/c1-7-17(8-2,9-3)13-11-14(15)10-12-16(4,5)6/h7-9H2,1-6H3
InChIKeySHRVVYHZGAYULY-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.52
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_yne_A(1)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one?
The IUPAC name of 1-triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one (CID 14937073) is 1-triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one.
What is the SMILES notation for 1-triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one?
The canonical SMILES for 1-triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one is CC[Si](C#CC(=O)C#C[Si](C)(C)C)(CC)CC.
What is the InChIKey of 1-triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one?
The InChIKey is SHRVVYHZGAYULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OSi2/c1-7-17(8-2,9-3)13-11-14(15)10-12-16(4,5)6/h7-9H2,1-6H3.
What are the key properties of 1-triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one?
1-triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one has a molecular weight of 264.52 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethylsilyl-5-trimethylsilylpenta-1,4-diyn-3-one is sourced from PubChem (CID 14937073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).