2-methyl-1,6-bis(trimethylsilyl)hexane-1,6-dione

C13H28O2Si2 — CID 10516350

IUPAC2-methyl-1,6-bis(trimethylsilyl)hexane-1,6-dione
SMILESCC(CCCC(=O)[Si](C)(C)C)C(=O)[Si](C)(C)C
InChIInChI=1S/C13H28O2Si2/c1-11(13(15)17(5,6)7)9-8-10-12(14)16(2,3)4/h11H,8-10H2,1-7H3
InChIKeyJIJTVQKGMXJFSL-UHFFFAOYSA-N
MW272.54 g/mol
LogP3.69
Rot. Bonds7

About 2-methyl-1,6-bis(trimethylsilyl)hexane-1,6-dione

2-methyl-1,6-bis(trimethylsilyl)hexane-1,6-dione (PubChem CID 10516350) has the molecular formula C13H28O2Si2 and a molecular weight of 272.54 g/mol. Its IUPAC name is 2-methyl-1,6-bis(trimethylsilyl)hexane-1,6-dione.

Molecular Properties

Compound Name2-methyl-1,6-bis(trimethylsilyl)hexane-1,6-dione
PubChem CID10516350
Molecular FormulaC13H28O2Si2
Molecular Weight272.54 g/mol
Exact Mass272.16
IUPAC Name2-methyl-1,6-bis(trimethylsilyl)hexane-1,6-dione
SMILESCC(CCCC(=O)[Si](C)(C)C)C(=O)[Si](C)(C)C
InChIInChI=1S/C13H28O2Si2/c1-11(13(15)17(5,6)7)9-8-10-12(14)16(2,3)4/h11H,8-10H2,1-7H3
InChIKeyJIJTVQKGMXJFSL-UHFFFAOYSA-N
XLogP3.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.54
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,6-bis(trimethylsilyl)hexane-1,6-dione?
The IUPAC name of 2-methyl-1,6-bis(trimethylsilyl)hexane-1,6-dione (CID 10516350) is 2-methyl-1,6-bis(trimethylsilyl)hexane-1,6-dione.
What is the SMILES notation for 2-methyl-1,6-bis(trimethylsilyl)hexane-1,6-dione?
The canonical SMILES for 2-methyl-1,6-bis(trimethylsilyl)hexane-1,6-dione is CC(CCCC(=O)[Si](C)(C)C)C(=O)[Si](C)(C)C.
What is the InChIKey of 2-methyl-1,6-bis(trimethylsilyl)hexane-1,6-dione?
The InChIKey is JIJTVQKGMXJFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si2/c1-11(13(15)17(5,6)7)9-8-10-12(14)16(2,3)4/h11H,8-10H2,1-7H3.
What are the key properties of 2-methyl-1,6-bis(trimethylsilyl)hexane-1,6-dione?
2-methyl-1,6-bis(trimethylsilyl)hexane-1,6-dione has a molecular weight of 272.54 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,6-bis(trimethylsilyl)hexane-1,6-dione is sourced from PubChem (CID 10516350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).