2,5-dimethyl-1,6-bis(trimethylsilyl)hexane-1,6-dione

C14H30O2Si2 — CID 10660910

IUPAC2,5-dimethyl-1,6-bis(trimethylsilyl)hexane-1,6-dione
SMILESCC(CCC(C)C(=O)[Si](C)(C)C)C(=O)[Si](C)(C)C
InChIInChI=1S/C14H30O2Si2/c1-11(13(15)17(3,4)5)9-10-12(2)14(16)18(6,7)8/h11-12H,9-10H2,1-8H3
InChIKeySHJPKVDWXRJRJH-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.93
Rot. Bonds7

About 2,5-dimethyl-1,6-bis(trimethylsilyl)hexane-1,6-dione

2,5-dimethyl-1,6-bis(trimethylsilyl)hexane-1,6-dione (PubChem CID 10660910) has the molecular formula C14H30O2Si2 and a molecular weight of 286.56 g/mol. Its IUPAC name is 2,5-dimethyl-1,6-bis(trimethylsilyl)hexane-1,6-dione.

Molecular Properties

Compound Name2,5-dimethyl-1,6-bis(trimethylsilyl)hexane-1,6-dione
PubChem CID10660910
Molecular FormulaC14H30O2Si2
Molecular Weight286.56 g/mol
Exact Mass286.18
IUPAC Name2,5-dimethyl-1,6-bis(trimethylsilyl)hexane-1,6-dione
SMILESCC(CCC(C)C(=O)[Si](C)(C)C)C(=O)[Si](C)(C)C
InChIInChI=1S/C14H30O2Si2/c1-11(13(15)17(3,4)5)9-10-12(2)14(16)18(6,7)8/h11-12H,9-10H2,1-8H3
InChIKeySHJPKVDWXRJRJH-UHFFFAOYSA-N
XLogP3.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.93
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 2,5-dimethyl-1,6-bis(trimethylsilyl)hexane-1,6-dione?
The IUPAC name of 2,5-dimethyl-1,6-bis(trimethylsilyl)hexane-1,6-dione (CID 10660910) is 2,5-dimethyl-1,6-bis(trimethylsilyl)hexane-1,6-dione.
What is the SMILES notation for 2,5-dimethyl-1,6-bis(trimethylsilyl)hexane-1,6-dione?
The canonical SMILES for 2,5-dimethyl-1,6-bis(trimethylsilyl)hexane-1,6-dione is CC(CCC(C)C(=O)[Si](C)(C)C)C(=O)[Si](C)(C)C.
What is the InChIKey of 2,5-dimethyl-1,6-bis(trimethylsilyl)hexane-1,6-dione?
The InChIKey is SHJPKVDWXRJRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si2/c1-11(13(15)17(3,4)5)9-10-12(2)14(16)18(6,7)8/h11-12H,9-10H2,1-8H3.
What are the key properties of 2,5-dimethyl-1,6-bis(trimethylsilyl)hexane-1,6-dione?
2,5-dimethyl-1,6-bis(trimethylsilyl)hexane-1,6-dione has a molecular weight of 286.56 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,6-bis(trimethylsilyl)hexane-1,6-dione is sourced from PubChem (CID 10660910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).