2-trimethylsilylbuta-1,3-diene-1,4-dione

C7H10O2Si — CID 134893304

IUPAC2-trimethylsilylbuta-1,3-diene-1,4-dione
SMILESC[Si](C)(C)C(=C=O)C=C=O
InChIInChI=1S/C7H10O2Si/c1-10(2,3)7(6-9)4-5-8/h4H,1-3H3
InChIKeyRHGZRQKCSFHLME-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.01
Rot. Bonds2

About 2-trimethylsilylbuta-1,3-diene-1,4-dione

2-trimethylsilylbuta-1,3-diene-1,4-dione (PubChem CID 134893304) has the molecular formula C7H10O2Si and a molecular weight of 154.24 g/mol. Its IUPAC name is 2-trimethylsilylbuta-1,3-diene-1,4-dione.

Molecular Properties

Compound Name2-trimethylsilylbuta-1,3-diene-1,4-dione
PubChem CID134893304
Molecular FormulaC7H10O2Si
Molecular Weight154.24 g/mol
Exact Mass154.05
IUPAC Name2-trimethylsilylbuta-1,3-diene-1,4-dione
SMILESC[Si](C)(C)C(=C=O)C=C=O
InChIInChI=1S/C7H10O2Si/c1-10(2,3)7(6-9)4-5-8/h4H,1-3H3
InChIKeyRHGZRQKCSFHLME-UHFFFAOYSA-N
XLogP1.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-trimethylsilylbuta-1,3-diene-1,4-dione?
The IUPAC name of 2-trimethylsilylbuta-1,3-diene-1,4-dione (CID 134893304) is 2-trimethylsilylbuta-1,3-diene-1,4-dione.
What is the SMILES notation for 2-trimethylsilylbuta-1,3-diene-1,4-dione?
The canonical SMILES for 2-trimethylsilylbuta-1,3-diene-1,4-dione is C[Si](C)(C)C(=C=O)C=C=O.
What is the InChIKey of 2-trimethylsilylbuta-1,3-diene-1,4-dione?
The InChIKey is RHGZRQKCSFHLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2Si/c1-10(2,3)7(6-9)4-5-8/h4H,1-3H3.
What are the key properties of 2-trimethylsilylbuta-1,3-diene-1,4-dione?
2-trimethylsilylbuta-1,3-diene-1,4-dione has a molecular weight of 154.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylbuta-1,3-diene-1,4-dione is sourced from PubChem (CID 134893304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).