2,3-bis[tert-butyl(dimethyl)silyl]buta-1,3-diene-1,4-dione

C16H30O2Si2 — CID 14979597

IUPAC2,3-bis[tert-butyl(dimethyl)silyl]buta-1,3-diene-1,4-dione
SMILESCC(C)(C)[Si](C)(C)C(=C=O)C(=C=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si2/c1-15(2,3)19(7,8)13(11-17)14(12-18)20(9,10)16(4,5)6/h1-10H3
InChIKeyVBUDGMYBOQMVQE-UHFFFAOYSA-N
MW310.59 g/mol
LogP4.60
Rot. Bonds3

About 2,3-bis[tert-butyl(dimethyl)silyl]buta-1,3-diene-1,4-dione

2,3-bis[tert-butyl(dimethyl)silyl]buta-1,3-diene-1,4-dione (PubChem CID 14979597) has the molecular formula C16H30O2Si2 and a molecular weight of 310.59 g/mol. Its IUPAC name is 2,3-bis[tert-butyl(dimethyl)silyl]buta-1,3-diene-1,4-dione.

Molecular Properties

Compound Name2,3-bis[tert-butyl(dimethyl)silyl]buta-1,3-diene-1,4-dione
PubChem CID14979597
Molecular FormulaC16H30O2Si2
Molecular Weight310.59 g/mol
Exact Mass310.18
IUPAC Name2,3-bis[tert-butyl(dimethyl)silyl]buta-1,3-diene-1,4-dione
SMILESCC(C)(C)[Si](C)(C)C(=C=O)C(=C=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si2/c1-15(2,3)19(7,8)13(11-17)14(12-18)20(9,10)16(4,5)6/h1-10H3
InChIKeyVBUDGMYBOQMVQE-UHFFFAOYSA-N
XLogP4.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.59
LogP ≤ 54.60
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[tert-butyl(dimethyl)silyl]buta-1,3-diene-1,4-dione?
The IUPAC name of 2,3-bis[tert-butyl(dimethyl)silyl]buta-1,3-diene-1,4-dione (CID 14979597) is 2,3-bis[tert-butyl(dimethyl)silyl]buta-1,3-diene-1,4-dione.
What is the SMILES notation for 2,3-bis[tert-butyl(dimethyl)silyl]buta-1,3-diene-1,4-dione?
The canonical SMILES for 2,3-bis[tert-butyl(dimethyl)silyl]buta-1,3-diene-1,4-dione is CC(C)(C)[Si](C)(C)C(=C=O)C(=C=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2,3-bis[tert-butyl(dimethyl)silyl]buta-1,3-diene-1,4-dione?
The InChIKey is VBUDGMYBOQMVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si2/c1-15(2,3)19(7,8)13(11-17)14(12-18)20(9,10)16(4,5)6/h1-10H3.
What are the key properties of 2,3-bis[tert-butyl(dimethyl)silyl]buta-1,3-diene-1,4-dione?
2,3-bis[tert-butyl(dimethyl)silyl]buta-1,3-diene-1,4-dione has a molecular weight of 310.59 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[tert-butyl(dimethyl)silyl]buta-1,3-diene-1,4-dione is sourced from PubChem (CID 14979597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).