2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione

C15H32O4Si2 — CID 22253510

IUPAC2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione
SMILESCC(C)(O[Si](C)(C)C)C(=O)CC(=O)C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C15H32O4Si2/c1-14(2,18-20(5,6)7)12(16)11-13(17)15(3,4)19-21(8,9)10/h11H2,1-10H3
InChIKeyIXLCYTPRCFCSPI-UHFFFAOYSA-N
MW332.59 g/mol
LogP3.77
Rot. Bonds8

About 2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione

2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione (PubChem CID 22253510) has the molecular formula C15H32O4Si2 and a molecular weight of 332.59 g/mol. Its IUPAC name is 2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione.

Molecular Properties

Compound Name2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione
PubChem CID22253510
Molecular FormulaC15H32O4Si2
Molecular Weight332.59 g/mol
Exact Mass332.18
IUPAC Name2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione
SMILESCC(C)(O[Si](C)(C)C)C(=O)CC(=O)C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C15H32O4Si2/c1-14(2,18-20(5,6)7)12(16)11-13(17)15(3,4)19-21(8,9)10/h11H2,1-10H3
InChIKeyIXLCYTPRCFCSPI-UHFFFAOYSA-N
XLogP3.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione?
The IUPAC name of 2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione (CID 22253510) is 2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione.
What is the SMILES notation for 2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione?
The canonical SMILES for 2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione is CC(C)(O[Si](C)(C)C)C(=O)CC(=O)C(C)(C)O[Si](C)(C)C.
What is the InChIKey of 2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione?
The InChIKey is IXLCYTPRCFCSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4Si2/c1-14(2,18-20(5,6)7)12(16)11-13(17)15(3,4)19-21(8,9)10/h11H2,1-10H3.
What are the key properties of 2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione?
2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione has a molecular weight of 332.59 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2,6-bis(trimethylsilyloxy)heptane-3,5-dione is sourced from PubChem (CID 22253510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).