1-dimethylsilyl-3,3-dimethylbutane-1,2-dione

C8H16O2Si — CID 173326149

IUPAC1-dimethylsilyl-3,3-dimethylbutane-1,2-dione
SMILESC[SiH](C)C(=O)C(=O)C(C)(C)C
InChIInChI=1S/C8H16O2Si/c1-8(2,3)6(9)7(10)11(4)5/h11H,1-5H3
InChIKeyRTTITXIVNFHIDG-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.20
Rot. Bonds2

About 1-dimethylsilyl-3,3-dimethylbutane-1,2-dione

1-dimethylsilyl-3,3-dimethylbutane-1,2-dione (PubChem CID 173326149) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is 1-dimethylsilyl-3,3-dimethylbutane-1,2-dione.

Molecular Properties

Compound Name1-dimethylsilyl-3,3-dimethylbutane-1,2-dione
PubChem CID173326149
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name1-dimethylsilyl-3,3-dimethylbutane-1,2-dione
SMILESC[SiH](C)C(=O)C(=O)C(C)(C)C
InChIInChI=1S/C8H16O2Si/c1-8(2,3)6(9)7(10)11(4)5/h11H,1-5H3
InChIKeyRTTITXIVNFHIDG-UHFFFAOYSA-N
XLogP1.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dimethylsilyl-3,3-dimethylbutane-1,2-dione?
The IUPAC name of 1-dimethylsilyl-3,3-dimethylbutane-1,2-dione (CID 173326149) is 1-dimethylsilyl-3,3-dimethylbutane-1,2-dione.
What is the SMILES notation for 1-dimethylsilyl-3,3-dimethylbutane-1,2-dione?
The canonical SMILES for 1-dimethylsilyl-3,3-dimethylbutane-1,2-dione is C[SiH](C)C(=O)C(=O)C(C)(C)C.
What is the InChIKey of 1-dimethylsilyl-3,3-dimethylbutane-1,2-dione?
The InChIKey is RTTITXIVNFHIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-8(2,3)6(9)7(10)11(4)5/h11H,1-5H3.
What are the key properties of 1-dimethylsilyl-3,3-dimethylbutane-1,2-dione?
1-dimethylsilyl-3,3-dimethylbutane-1,2-dione has a molecular weight of 172.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylsilyl-3,3-dimethylbutane-1,2-dione is sourced from PubChem (CID 173326149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).