8,8-dimethyl-1-trimethylsilylnonane-3,5-dione

C14H28O2Si — CID 139254513

IUPAC8,8-dimethyl-1-trimethylsilylnonane-3,5-dione
SMILESCC(C)(C)CCC(=O)CC(=O)CC[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-14(2,3)9-7-12(15)11-13(16)8-10-17(4,5)6/h7-11H2,1-6H3
InChIKeyOEQUBKGNLZGOSC-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.07
Rot. Bonds7

About 8,8-dimethyl-1-trimethylsilylnonane-3,5-dione

8,8-dimethyl-1-trimethylsilylnonane-3,5-dione (PubChem CID 139254513) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 8,8-dimethyl-1-trimethylsilylnonane-3,5-dione.

Molecular Properties

Compound Name8,8-dimethyl-1-trimethylsilylnonane-3,5-dione
PubChem CID139254513
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name8,8-dimethyl-1-trimethylsilylnonane-3,5-dione
SMILESCC(C)(C)CCC(=O)CC(=O)CC[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-14(2,3)9-7-12(15)11-13(16)8-10-17(4,5)6/h7-11H2,1-6H3
InChIKeyOEQUBKGNLZGOSC-UHFFFAOYSA-N
XLogP4.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethyloctane-3,5-dione
CID 14919057
4,4-Dimethyl-1-(trimethylsilyl)pentane-1,3-dione
CID 15515064
2,2-Dimethyl-3,5-nonanedione
CID 23286215
2,2-Dimethyldecane-3,5-dione
CID 43138844
Triacethylhexan
CID 54133366
(3S)-3-methyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one
CID 72192762
Trimethylheptane-3,5-dione
CID 129711960
3,8-Decanedione, 2,2,9,9-tetramethyl-
CID 546352
2,2,10,10-Tetramethylundecane-3,9-dione
CID 12813495
3,4-Decanedione, 2,2-dimethyl-
CID 4661084
2,2-Dimethyldodecane-3,5-dione
CID 43139047
18,18-Dimethyl-1-trimethylsilylnonadecane-3,15-dione
CID 101809462

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1-trimethylsilylnonane-3,5-dione?
The IUPAC name of 8,8-dimethyl-1-trimethylsilylnonane-3,5-dione (CID 139254513) is 8,8-dimethyl-1-trimethylsilylnonane-3,5-dione.
What is the SMILES notation for 8,8-dimethyl-1-trimethylsilylnonane-3,5-dione?
The canonical SMILES for 8,8-dimethyl-1-trimethylsilylnonane-3,5-dione is CC(C)(C)CCC(=O)CC(=O)CC[Si](C)(C)C.
What is the InChIKey of 8,8-dimethyl-1-trimethylsilylnonane-3,5-dione?
The InChIKey is OEQUBKGNLZGOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-14(2,3)9-7-12(15)11-13(16)8-10-17(4,5)6/h7-11H2,1-6H3.
What are the key properties of 8,8-dimethyl-1-trimethylsilylnonane-3,5-dione?
8,8-dimethyl-1-trimethylsilylnonane-3,5-dione has a molecular weight of 256.46 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1-trimethylsilylnonane-3,5-dione is sourced from PubChem (CID 139254513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).