2,3-bis(trimethylsilyl)buta-1,3-diene-1,4-dione

C10H18O2Si2 — CID 10944161

IUPAC2,3-bis(trimethylsilyl)buta-1,3-diene-1,4-dione
SMILESC[Si](C)(C)C(=C=O)C(=C=O)[Si](C)(C)C
InChIInChI=1S/C10H18O2Si2/c1-13(2,3)9(7-11)10(8-12)14(4,5)6/h1-6H3
InChIKeyHCSIDQIGMXXMBO-UHFFFAOYSA-N
MW226.42 g/mol
LogP2.26
Rot. Bonds3

About 2,3-bis(trimethylsilyl)buta-1,3-diene-1,4-dione

2,3-bis(trimethylsilyl)buta-1,3-diene-1,4-dione (PubChem CID 10944161) has the molecular formula C10H18O2Si2 and a molecular weight of 226.42 g/mol. Its IUPAC name is 2,3-bis(trimethylsilyl)buta-1,3-diene-1,4-dione.

Molecular Properties

Compound Name2,3-bis(trimethylsilyl)buta-1,3-diene-1,4-dione
PubChem CID10944161
Molecular FormulaC10H18O2Si2
Molecular Weight226.42 g/mol
Exact Mass226.08
IUPAC Name2,3-bis(trimethylsilyl)buta-1,3-diene-1,4-dione
SMILESC[Si](C)(C)C(=C=O)C(=C=O)[Si](C)(C)C
InChIInChI=1S/C10H18O2Si2/c1-13(2,3)9(7-11)10(8-12)14(4,5)6/h1-6H3
InChIKeyHCSIDQIGMXXMBO-UHFFFAOYSA-N
XLogP2.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.42
LogP ≤ 52.26
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 2,3-bis(trimethylsilyl)buta-1,3-diene-1,4-dione?
The IUPAC name of 2,3-bis(trimethylsilyl)buta-1,3-diene-1,4-dione (CID 10944161) is 2,3-bis(trimethylsilyl)buta-1,3-diene-1,4-dione.
What is the SMILES notation for 2,3-bis(trimethylsilyl)buta-1,3-diene-1,4-dione?
The canonical SMILES for 2,3-bis(trimethylsilyl)buta-1,3-diene-1,4-dione is C[Si](C)(C)C(=C=O)C(=C=O)[Si](C)(C)C.
What is the InChIKey of 2,3-bis(trimethylsilyl)buta-1,3-diene-1,4-dione?
The InChIKey is HCSIDQIGMXXMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2Si2/c1-13(2,3)9(7-11)10(8-12)14(4,5)6/h1-6H3.
What are the key properties of 2,3-bis(trimethylsilyl)buta-1,3-diene-1,4-dione?
2,3-bis(trimethylsilyl)buta-1,3-diene-1,4-dione has a molecular weight of 226.42 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trimethylsilyl)buta-1,3-diene-1,4-dione is sourced from PubChem (CID 10944161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).